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Based on a model that generates the theory of planned behavior (TPB) and the norm activation model (NAM), this study aimed to determine how positive and negative perceptions affect people's willingness to save electricity. It also verified the moderating effect of cognition of price and subsidy policies on residents’ electricity-saving intentions and behaviors. An empirical test was conducted using data on 658 urban residents in the Yangtze River Delta. The results indicated that perceived monetary benefit and perceived environmental benefit both positively affect residents’ willingness to save electricity, but that the effect of perceived inconvenience is significantly negative. Residents’ cognition of electricity price and subsidy policies exerts a prominent positive moderating effect between electricity-saving intentions and behaviors. In addition, perceived behavioral control and personal moral norms indirectly affect electricity-saving behaviors by affecting intentions. Finally, relevant policy recommendations for promoting energy conservation and emissions reduction in households are proposed.

The absorption of electromagnetic waves by materials is usually realized by multiple mechanisms, such as interface polarization, defect polarization, multiple reflections and scattering, conductive loss and magnetic loss. Therefore, attributing microwave absorption (MA) to specific mechanisms without separating them through effective means is not rigorous. Herein, three different structures: ZnO–C core-shell nanowires, ZnO–C wire-in-tubes and carbon nanotubes, were prepared through the molecular layer deposition of polyimide on ZnO nanowires and subsequent calcination at specific temperatures. Results show that the hollow structure is beneficial to MA performance. The reflection loss (RL) values of wire-in-tube and nanotube structures are much higher than the RL values of the core-shell structure. The RL peak of nanotube structure can reach −64.42 dB. Then again, multicomponent modulation is conducive to impedance matching resulting in board effective absorption bandwidth (EAB). The EAB of the wire-in-tube structure with two components is wider than that of the nanotube structure with one component, reaching as wide as 5.76 GHz. The results substantiate the effect of hollow structure and composition on the MA performance, providing a strong basis for the design and optimization of MA materials.

For birds, the uterus is an important part for eggshell mineralization, and the establishment of the endometrial epithelial cell (EEC) model was beneficial to the study of uterine function. This study was conducted to establish a culture model of primary EECs of laying hens and explore the effects of zinc on primary EEC proliferation, zinc transport, and calcium deposition in vitro. The EECs were isolated and cultured via type I collagenase digestion, and in the logarithmic phase during 2–5 days, and then reached the plateau phase on the 7th day of inoculation. Results showed that the proliferation of EECs treated by 50 μM ZnSO4 or zinc-methionine (Zn-Met) were markedly promoted at 24-h or 48-h treating time (P

Electrocatalytic water splitting is a promising technology for large-scale hydrogen production. However, it requires efficient catalysts to overcome the large overpotentials in the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Herein, we report a novel heterostructure catalyst Co9S8/Cu2S on copper foam (Co9S8/Cu2S/CF) with multistep impregnation and electrodeposition. Due to the strong interfacial interaction, the interfacial electrons transfer from Co sites to S sites, which promote the adsorption of oxygen-containing intermediates, water molecules, as well as the dissociation of water molecules. Therefore, the heterostructure catalyst exhibits low overpotentials of 195 mV for OER and 165 mV for HER at 10 mA cm-2, respectively. Moreover, it only needs 1.6 V to realize water splitting at 10 mA cm-2 in a two-electrode cell. This work provides an efficient method to tailor the surface electronic structure through specific morphological design and construct a heterostructure interface to achieve alkaline water splitting.

Postoperative epidural adhesion remains a clinically challenging problem in spine surgery. Currently there are no effective and safe antifibrotic and antiadhesion biomaterials that have been specifically developed for this complication in clinical practice. Herein we designed and engineered an advanced antiadhesion hydrogel with multiple functionalities, including temperature-responsive gelation, self-healing, tissue adhesiveness, antioxidation, anti-inflammation, and antifibrosis. This multifunctional supramolecular hydrogel can be facilely constructed by integrating three functional modules, i.e., a thermosensitive triblock copolymer, poloxamer 407 (PX); a reactive oxygen species-eliminating and anti-inflammatory nanoparticle (TPCD NP); and an adhesion-enhancing compound, tannic acid (TA). The optimal formulation (PXNT) was hierarchically screened based on in vitro properties and in vivo activities. Therapeutically, local treatment with PXNT hydrogel effectively prevented epidural fibrosis and adhesion after laminectomy in both rats and rabbits. Of note, PXNT hydrogel showed more beneficial efficacy than different control thermosensitive hydrogels and a commercially available barrier product, Interceed. Mechanistically, PXNT hydrogel significantly attenuated local oxidative stress, inhibited inflammatory responses, and reduced fibrotic tissue formation. Moreover, treatment with PXNT hydrogel did not cause systemic adverse effects and neurological symptoms. Consequently, PXNT hydrogel is a highly promising biomaterial for preventing postlaminectomy epidural adhesion and adhesions after other surgeries.

Because of the wide applications for photocatalysis, electronics and optoelectronics, two-dimensional (2D) van der Waals (vdW) heterojunctions have attracted substantial attentions. In this work, we carried out a systematic investigation on the geometry structures, electronic properties, optical properties and carrier mobilities of the M2CO2-II (M = Ti, Zr and Hf) and MoS2 heterostructures with a hybridized density functional theory (DFT). The BʹCʹ stacked M2CO2-II/MoS2 heterostructure with a short interlayer distance is energetically favorable. All M2CO2-II/MoS2 bilayer and sandwich-like structures are indirect semiconductors. The maximum of valence band (VBM) and conduction band minimum (CBM) of M2CO2-II/MoS2 heterostructures are dominated by different layers, implying the spatial separation of photogenerated electron-hole pairs. Three M2CO2-II/MoS2 heterostructures, including Zr2CO2-II/MoS2 –S-BʹCʹ, Hf2CO2-II/MoS2–B-BʹCʹ, and Hf2CO2-II/MoS2–S-BʹCʹ, are considered as the promising candidates for overall water splitting due to their appropriate band structures, suppressed recombination of photogenerated electron-hole pairs, enhanced optical absorption and carrier mobilities. In addition, the gaint hole mobility makes Ti2CO2-II/MoS2 heterostructure a potential candidate for the application for 2D electronic devices.

Among the various morphologies, the nanoflowers have attracted considerable attention because the nanoflowers own higher surface area and lower density, providing more reaction sites for the adsorbates involved in a close range. In this study, Pd@Pt core–shell nanoflowers were obtained by a simple method. From the experiment results, it would be concluded that the core–shell structure was generated owing to the separate reactions of Pt and Pd processors and the flower-like morphologies were generated because of the effect of CTAC. This special structure enabled excellent performance for the oxidation of methanol due to the synergistic effect between Pd and Pt elements and the resulted larger surface area. Specifically, the specific activity of Pd@Pt core–shell nanoflowers was 0.70 mA cm−2, which was more outstanding than that of Pt black according to the electrochemical tests. Moreover, the Pd@Pt core–shell nanoflowers exhibited better durability than Pt black.

The catalytic activity of the catalyst closely depends on its electronic structure, but the relationship between electronic structure and the catalytic activity in the ammonia borane (NH3BH3, AB) c...

Endohedral clusterfullerenes (ECFs) are fullerene cages with various metallic clusters trapped inside. So far, the actinide-based ECFs are rather scarce with their possible structures and chemistry...

The stability of endohedral clusterfullerenes is generally understood in terms of the metal cluster shape, cage structure, and metal-cage interactions, with the electronic state of the internal cluster mostly neglected. Herein, theoretical calculations reveal that the (Ti

TiO2–CdS nanotubes (NTs) were used for the first time as a support to load metal nanoparticles (NPs) for the hydrolysis of ammonia borane (AB) which is a new strategy. The TiO2–CdS NTs support was first synthesized using a hydrothermal method, and then the CuNi NPs were loaded using a liquid-phase reduction method. The synthesized samples were characterized by XRD, SEM-EDS, TEM, XPS, ICP, UV–Vis, and PL analyses. The characterization results show that the CuNi NPs existed in the form of an alloy with a size of ~1.2 nm and uniformly dispersed on the support. Compared with their single metal counterparts, the bimetallic CuNi-supported catalysts showed a higher catalytic activity in the hydrolysis of AB under visible-light irradiation: Cu0·45Ni0·55/TiO2–CdS catalyst had the fastest hydrogen evolution rate with a high conversion frequency (TOF) of 25.9 molH2·molcat−1 min−1 at 25 °C and low activation energy of 32.8 kJ mol−1. Cu0.45Ni0.55/TiO2–CdS catalyst showed good recycle performance, maintaining 99.3% and 85.6% of the original hydrogen evolution rate even after five and ten recycles, respectively. Strong absorption of visible light, improved electron–hole separation efficiency, and metal synergy between Cu and Ni elements played a crucial role in improving the catalytic hydrolysis performance of AB. The catalyst prepared in this study provides a new strategy for the application of photocatalysts.

The design and synthesis of bifunctional heterostructure catalysts is significant to achieve excellent water electrolysis performance. Nevertheless, it remains a challenge to explore the exact active centers of the bifunctional catalysts in the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Herein, a bifunctional catalyst of ultra-thin porous δ-FeOOH modified Ni3S2 nanosheets exhibits a relatively low overpotential of 187 mV for the OER and 106 mV for the HER at a current density of 10 mA cm−2, respectively. In addition, the overall water splitting unit provides a potential of 1.525 V at 10 mA cm−2 and maintains a performance of 96.85% after 24 h continuous testing. Multispectral analysis and density functional theory (DFT) calculations disclose that the constructed interface between δ-FeOOH and Ni3S2 has two functional groups of Ni–O–Fe and Fe–S bonds to boost the OER and HER performance, respectively, thereby accelerating the overall electrochemical water splitting process in alkaline solution.

Drug-induced tissue injury has become a growing public health problem. Gastrointestinal injury and liver dysfunction are the most common side effects related to drug therapies, resulting in high morbidity and mortality in recent years. The overproduction of reactive oxygen species (ROS) is critically involved in the pathogenesis of drug-induced tissue injury. Consequently, antioxidant therapy represents a very promising strategy for the treatment of drug-induced tissue injury. Herein, a multifunctional antioxidant nanotherapy (TON) is engineered from a cyclodextrin-derived ROS-responsive material and a radical scavenger tempol, and is capable of eliminating a broad spectrum of ROS. After oral administration, TON can passively accumulate in the inflamed gastrointestinal tissues in mice with indomethacin-induced gastrointestinal injury. Correspondingly, TON shows superior efficacy in two representative murine models of indomethacin-induced gastrointestinal injury and acetaminophen-induced hepatic injury via attenuating oxidative stress and mitigating inflammatory responses. Additionally, preliminary in vitro and in vivo experiments demonstrate the good safety profile of TON. Consequently, the ROS-responsive antioxidant nanotherapy TON is promising for the treatment of drug-induced tissue and organ injury.

MYB57 positively regulates MAPK11, and MAPK11 interacts with PAL2;3 to modulate rice allelopathy. The allelopathic rice PI312777 has a higher transcriptional ability of PAL2;3 than the non-allelopathic rice Lemont., Rice allelopathy is a natural method of weed control that is regarded as an eco-friendly practice in agroecology. The allelopathic potential of rice is regulated by various genes, including those that encode transcription factors. Our study characterized a MYB transcription factor, OsMYB57, to explore its role in the regulation of rice allelopathy. Increasing the expression of OsMYB57 in rice using the transcription activator VP64 resulted in increased inhibitory ratios against barnyardgrass. The gene expression levels of OsPAL, OsC4H, OsOMT, and OsCAD from the phenylpropanoid pathway were also up-regulated, and the content of l-phenylalanine increased. Chromatin immunoprecipitation incorporated with HiSeq demonstrated that OsMYB57 transcriptionally regulated a mitogen-activated protein kinase (OsMAPK11); in addition, OsMAPK11 interacted with OsPAL2;3. The expression of OsPAL2;3was higher in the allelopathic rice PI312777 than in the non-allelopathic rice Lemont, and OsPAL2;3 was negatively regulated by Whirly transcription factors. Moreover, microbes with weed-suppression potential, including Penicillium spp. and Bacillus spp., were assembled in the rhizosphere of the rice accession Kitaake with increased expression of OsMYB57, and were responsible for phenolic acid induction. Our findings suggest that OsMYB57 positively regulates rice allelopathy, providing an option for the improvement of rice allelopathic traits through genetic modification.

The development of high-efficiency, low-cost, and earth-abundant electrocatalysts for overall water splitting remains a challenge. In this work, Ni-modified MoS2 hybrid catalysts are grown on carbon cloth (Ni-Mo-S@CC) through a one-step hydrothermal treatment. The optimized Ni-Mo-S@CC catalyst shows excellent hydrogen evolution reaction (HER) activity with a low overpotential of 168 mV at a current density of 10 mA cm-2 in 1.0 m KOH, which is lower than those of Ni-Mo-S@CC (1:1), Ni-Mo-S@CC (3:1), and pure MoS2 . Significantly, the Ni-Mo-S@CC hybrid catalyst also displays outstanding oxygen evolution reaction (OER) activity with a low overpotential of 320 mV at a current density of 10 mA cm-2 , and remarkable long-term stability for 30 h at a constant current density of 10 mA cm-2 . Experimental results and theoretical analysis based on density functional theory demonstrate that the excellent electrocatalytic performance can be attributed mainly to the remarkable conductivity, abundant active sites, and synergistic effect of the Ni-doped MoS2 . This work sheds light on a unique strategy for the design of high-performance and stable electrocatalysts for water-splitting electrolyzers.

The application of hexagonal boron nitride materials in the field of catalysis has gradually attracted increasing attention. Herein we demonstrate the application of porous boron nitride nanofibers as a promising carrier for developing highly efficient catalysts for the catalytic hydrogenation of ammonia borane. Porous boron nitride nanofibers with high specific areas are utilized as a novel carrier to support and immobilize CuCo binary metal nanoparticles with average diameters below 10 nm. The prepared composite catalyst exhibits excellent catalytic activity on hydrogen production by ammonia borane hydrolysis. The hydrogen generation rate of Cu0.4Co0.6/boron nitride catalyst (with a particle loading weight of 15.6 wt%) is 3387.1 mL min−1·g−1, with a total turnover frequency value of 8.42 mol H2·(mol cat)−1·min−1 and a activation energy of 21.8 kJ mol−1. Theory study indicates that the synergistic effect of CuCo binary metals, as well as the strong interaction between boron nitride carrier and CuCo metal, leading to the enhanced catalytic activities of the catalyst. This study demonstrates that porous boron nitride has prospective application potentials in the field of catalytic hydrogen production of ammonia borane.

Stimulated by the recent successful synthesis and crystallographic characterization of the first diuranium carbide endohedral metallofullerene (EMF) U2C@Ih(7)-C80 (Zhang et al. Nat. Commun.; 2018),...

The increasing use of pesticides in agriculture and gardening has caused severe deterioration to both the ecosystem and the health of users (human beings), so there is an urgent need for eco- and user-friendly pesticides. Among a variety of herbicides, paraquat (PQ), frequently used as an effective herbicidal agent worldwide, is well-known for its serious toxicity that has killed, and harmed, thousands of people and countless wildlife such as fish. Herein, we present a facile supramolecular formulation of PQ@cucurbit[7]uril (PQ@CB[7]), prepared by simply mixing PQ with equivalent (molar) CB[7] in water. With addition of CB[7], PQ's cellular uptake was dramatically inhibited. The reactive oxygen species (ROS) generation and the associated apoptosis otherwise induced by PQ in cellular models were both reduced, resulting in increased cellular viability. In a wildtype zebrafish model that is a typical fragile wildlife species in the ecosystem, the supramolecular formulation exhibited significantly reduced hepatotoxicity and increased survival rate, in comparison with those of the fish exposed to free PQ. In a mouse model that is clinically relevant to human being, the administration of PQ@CB[7] significantly alleviated major organ injuries and unusual hematological parameters that were otherwise induced by free PQ, resulting in a significantly increased survival rate. Meanwhile, this formulation maintained effective herbicidal activity that was equivalent to that of free PQ. Taken together, this facile supramolecular PQ formulation is providing not only an extremely rare example of an eco- and user-friendly herbicide that has been desired for decades but also a practical solution for green agriculture.

The oriented growth of flowerlike strontium titanate (SrTiO3) with highly efficient photoelectrocatalytic oxygen evolution reaction performance afforded a high limiting current density of 3.38 mA/cm2 at 600 mV (vs. the reversible hydrogen electrode), and low overpotential and Tafel slope (84 mV/dec) in 1 M KOH solution. Ti foil as a substrate can significantly enhance electron transfer, and flowerlike SrTiO3 with a highly exposed (110) crystal surface was controlled by NaOH concentration and HF. Therefore, the use of Ti and F− as the substrate and the shape-directing additive, respectively, is a feasible and simple strategy to induce a high-energy surface on a photoelectrocatalyst for photoelectrocatalytic splitting of water.

The novel hexagonal boron nitride (BN) bundles, assembled by a plenty of BN fibers with high adsorption capacity and outstanding recyclability, were prepared easily as an efficient adsorbent for antibiotics. It is an excellent substitute for carbonaceous adsorbent to overcome the shortcoming in low adsorption capacity and poor recyclability. Its high surface area can reach up to 871.456 m2 g−1. The adsorption capacity and removal percentage to sulfadiazine (SDZ, 0.328 mmol g−1, 82.192%), oxytetracycline (OTC, 0.202 mmol g−1, 92.890%) and erythromycin (EM, 0.126 mmol g−1, 90.140%) are superior compared with activated carbon and graphene nanoplatelets. It is interesting that BN bundles have a better adsorption to small molecules since huge molecules are easily restricted to enter the micropores, which was defined as micropore-filling effect. Moreover, the adsorption isotherms are well fitted by the Langmuir and Tempkin model, while pseudo-second-order model can better describe the adsorption kinetics. The adsorption mechanisms were deduced to be mainly π-π electron-donor-accepter interaction while electrostatic force and hydrophobic interaction played a significant role. The excellent reusability can be seen from the high removal efficiency after five recycles suggesting the BN bundles was a promising adsorbent for the efficient removal of antibiotics pollutants.

Accidental or suicidal ingestion of the world's most widely used herbicide, paraquat (PQ), may result in rapid multi-organ failure with a 60% fatality rate due to the absence of an effective detoxification solution. Effective, specific antidotes to PQ poisoning have been highly desired. Methods: The binding constant of PQ and a synthetic receptor, cucurbit[7]uril (CB[7]), was first determined in various pH environments. The antidotal effects of CB[7] on PQ toxicity were firstly evaluated with in-vitro cell lines. With in-vivo mice models, the pharmacokinetics and the biodistribution of PQ in major organs were determined to evaluate the influence of CB[7] on the oral bioavailability of PQ. Major organs' injuries and overall survival rates of the mice were systemically examined to evaluate the therapeutic efficacy of CB[7] on PQ poisoning. Results: We demonstrate that CB[7] may complex PQ strongly under various conditions and significantly reduce its toxicity in vitro and in vivo. Oral administration of PQ in the presence of CB[7] in a mouse model significantly decreased PQ levels in the plasma and major organs and alleviated major organs' injuries, when compared to those of mice administered with PQ alone. Further studies indicated that oral administration of CB[7] within 2 h post PQ ingestion significantly increased the survival rates and extended the survival time of the mice, in contrast to the ineffective treatment by activated charcoal, which is commonly recommended for PQ decontamination. Conclusion: CB[7] may be used as a specific oral antidote for PQ poisoning by strongly binding with PQ and inhibiting its absorption in the gastrointestinal tracts.

Due to the maximal atom utilization, high activity, and selectivity, the two-dimensional (2D) matrix supported single-atom catalysts (SACs) have attracted substantial research interests. In this work, we carried out the theoretical study on the stability, activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), and its dependence on the electronic structure of transition metal (TM) anchored on two types of borophene (called β12 and χ3) by density functional theory (DFT) calculations. The results show that the early− and VIII−TM anchored β12 and χ3 borophenes are structurally and thermodynamically stable. The overpotentials of OER (ηOER) over the Ni supported on β12 and χ3 borophene SACs, designated as β12−Ni and χ3−Ni, are 0.38 and 0.35 V, respectively. The ηORR of β12−Ni and χ3−Ni are estimated to be as low as 0.34 and 0.39 V, respectively. The OER/ORR activity of the SACs can be well correlated with their electronic structures. The high ηOER values of early TM supported on borophene SACs correspond to high d-band center of TM. Both β12−Ni and χ3−Ni have a moderate d-band center. Since the overpotentials for OER and ORR on β12−Ni and χ3−Ni are comparable to those of Pt group metals and their oxides, β12−Ni and χ3−Ni can be considered as the promising bifunctional catalysts for OER and ORR.

The COVID-19 pandemic continues to expand, while the relationship between weather conditions and the spread of the virus remains largely debatable. In this paper, we attempt to examine this question by employing a flexible econometric model coupled with fine-scaled hourly temperature variations and a rich set of covariates for 291 cities in the Chinese mainland. More importantly, we combine the baseline estimates with climate-change projections from 21 global climate models to understand the pandemic in different scenarios. We found a significant negative relationship between temperatures and caseload. A one-hour increase in temperatures from 25 °C to 28 °C tends to reduce daily cases by 15.1%, relative to such an increase from −2 °C to 1 °C. Our results also suggest an inverted U-shaped nonlinear relationship between relative humidity and confirmed cases. Despite the negative effects of heat, we found that rising temperatures induced by climate change are unlikely to contain a hypothesized pandemic in the future. In contrast, cases would tend to increase by 10.9% from 2040 to 2059 with a representative concentration pathway (RCP) of 4.5 and by 7.5% at an RCP of 8.5, relative to 2020, though reductions of 1.8% and 18.9% were projected for 2080–2099 for the same RCPs, respectively. These findings raise concerns that the pandemic could worsen under the climate-change framework.

Boresight and jitter are two fundamental pointing errors of laser illumination systems. A triangular-scanning algorithm is proposed to estimate the direction of the boresight via a three-step maximum boresight estimation and laser beam deflection procedure. On this basis, the closed-loop laser illumination (CLLI) for non-cooperative targets is realized, and the Cramer–Rao lower bounds (CRLB) performance in the lower limit of the pointing error is analyzed. Additionally, a Monte Carlo simulation system is built, and the performance of the CLLI algorithm is analyzed. The simulation results demonstrate that the triangular-scanning algorithm has good performance and can accurately estimate the direction of the boresight to achieve CLLI. Further study shows that the simulation results agree well with theoretical estimations and approximate the CRLB at the lower limit.

The complex environments and climatic conditions of the Qinghai-Tibet Plateau (QTP) create unique patterns of species diversity. However, the effect of uplift of the QTP on the distribution of Gymnocypris species (Gymnocypris) remain unclear. We found that the Qilian Mountain (QL) population has the highest genetic diversity by mitochondrial DNA hypervariable region of Gymnocypris species, the Tibetan (T) population has the lowest genetic diversity. The T population differs significantly from the Qinghai Lake (QH) and QL populations based on single nucleotide polymorphisms. A phylogeny and network distribution of this species on the QTP reveal differences in its genetic structure and support its taxonomic status. Neutrality tests reveal that Gymnocypris species has experienced different degrees of expansion, even secondary expansion. A divergence timetree estimates that the time of separation of different populations is possible related to uplift of the QTP and is consistent with the time of corresponding geological events. The QL population was separated from the other populations during the third uplift of the QTP (approximately 0.14 million years ago), and the QH and T populations were separated in the late Pleistocene to the Holocene (approximately 0.03 million years ago). In conclusion, this study provides different insights into the distribution of Gymnocypris species due to uplift of the QTP. Gymnocypris species was separated into different populations by this uplift, and each population exhibits unique characteristics, especially in terms of genetic structure and the degree of expansion. Moreover, the divergence time is consistent with the time of uplift of the QTP.

A facile approach is established to prepare zwitterionic nanocapsules (ZN C s) with controlled diameters and core/shell structures based on an inverse reversible addition-fragmentation transfer (RAFT) miniemulsion interfacial polymerization method. The diameters and core volume fractions of ZNCs can be tuned finely from 61 to 220 nm and from 0.22 to 0.61, respectively. Furthermore, the thermal-responsive property of the prepared zwitterionic nanocapsules was systematically studied relating to core/shell ratios and cross-linking degrees. These ZNCs could be particularly useful in constructing polymeric materials with well-defined nanoporous structures for nano-void membranes, drug delivery devices and catalytic carriers.

Exploring the factors affecting residents' electricity-saving behavior and their mechanisms of action is an important way to conserve regional energy and reduce emissions. Integrating the theory of planned behavior (TPB) and norm activation model (NAM) and introducing the external policy factors, a model of the factors influencing habituation and investment electricity-saving behavior was constructed and an empirical study of urban residents in Hefei city, China was conducted. The results show that residents&rsquo, knowledge of the electricity price policy indirectly affects their habitual intentions by affecting their attitudes whereas residents' knowledge of the subsidy policy have direct effects on their investment intentions. Environmental concern can directly affect residents' habituation and investment intentions and also indirectly affect their habituation ones by affecting their personal moral norm. However, its indirect effect on the investment intention is not significant. Perceived behavioral control has a significant positive impact on residents' investment intentions and behaviors, but the impacts on their habituation ones are not significant. The relationships between the personal moral norm and the two kinds of intention and behavior are opposite to those of perceived behavior control. Relevant policy implications for the government, household appliance enterprises, and power enterprises are provided.

A series of C-7, C-9 and C-10 modified taxane analogues were synthesized and their in vitro anticancer activities against three human cancer cell lines: A-549 (human lung cancer cell line), MDA-MB-231 (human breast cancer cell line), A-549/T (human lung cancer resistant cell line) were studied. The novel 1-deoxybaccatin VI derivatives modified with carbonate group at C-9 and C-10 positions enable the behavior of these compounds to be evidently distinct from other similar compounds. The strong cytotoxicity in the three cell lines, especially in drug-resistant cell line, showed by the newly synthesized taxane analogues indicated them as potential lead compounds for anticancer drug design.

Background Infectious diseases caused by multidrug-resistant (MDR) bacteria, especially MDR Gram-negative strains, have become a global public health challenge. Multifunctional nanomaterials for controlling MDR bacterial infections via eradication of planktonic bacteria and their biofilms are of great interest. Results In this study, we developed a multifunctional platform (TG-NO-B) with single NIR laser-triggered PTT and NO release for synergistic therapy against MDR Gram-negative bacteria and their biofilms. When located at the infected sites, TG-NO-B was able to selectively bind to the surfaces of Gram-negative bacterial cells and their biofilm matrix through covalent coupling between the BA groups of TG-NO-B and the bacterial LPS units, which could greatly improve the antibacterial efficiency, and reduce side damages to ambient normal tissues. Upon single NIR laser irradiation, TG-NO-B could generate hyperthermia and simultaneously release NO, which would synergistically disrupt bacterial cell membrane, further cause leakage and damage of intracellular components, and finally induce bacteria death. On one hand, the combination of NO and PTT could largely improve the antibacterial efficiency. On the other hand, the bacterial cell membrane damage could improve the permeability and sensitivity to heat, decrease the photothermal temperature and avoid damages caused by high temperature. Moreover, TG-NO-B could be effectively utilized for synergistic therapy against the in vivo infections of MDR Gram-negative bacteria and their biofilms and accelerate wound healing as well as exhibit excellent biocompatibility both in vitro and in vivo. Conclusions Our study demonstrates that TG-NO-B can be considered as a promising alternative for treating infections caused by MDR Gram-negative bacteria and their biofilms.

Background: Rice is a temperature-sensitive crop that can sustain dramatic damage from low temperatures. Overexpression of the Lsi1 gene (Lsi1-OX) in rice enhances its chilling tolerance. This study revealed that a serine hydroxymethyltransferase (OsSHMT) mainly localised in the endoplasmic reticulum (ER) is involved in increasing tolerance to chilling. Results: A higher transcription level of OsSHMT was detected in Lsi1-OX rice than in the wild type. Histone H1 and nucleic acid binding protein were found to bind to the promoter region of OsSHMT and regulate its expression, and the transcription levels of these proteins were also up-regulated in the Lsi1-OX rice. Moreover, OsSHMT interacts with ATP synthase subunit α, heat shock protein Hsp70, mitochondrial substrate carrier family protein, ascorbate peroxidase 1 and ATP synthase subunit β. Lsi1-encoded protein OsNIP2;1 also interacts with ATP synthase subunit β, and the coordination of these proteins appears to function in reducing reactive oxygen species, as the H2O2 content of transgenic OsSHMT Arabidopsis thaliana was lower than that of the non-transgenic line under chilling treatment. Conclusions: Our results indicate that ER-localised OsSHMT plays a role in scavenging H2O2 to enhance the chilling tolerance of Lsi1-OX rice and that ATP synthase subunit β is an intermediate junction between Lsi1 and OsSHMT.

Exploring economic, efficient, and corrosion-resistant oxygen electrocatalysts contributes to further development of zinc-air batteries and overall water splitting. Herein, a novel ternary spinel CoIn2Se4 nanomaterial, with Co2+ and In3+ occupying the tetrahedral and octahedral sites of the crystalline structure, has been fabricated using a facile and environment-friendly method. Moreover, CoIn2Se4 nanosheets outperform pristine CoSe2 and In2Se3 in catalyzing both oxygen evolution reaction (an overpotential of 315 mV at 10 mA cm-2) and oxygen reduction reaction (an onset overpotential of 0.88 V). The reduced charge resistance and increased active site exposure ratio contribute to the superior performance of CoIn2Se4. Moreover, density of theory (density functional theory-DFT) calculations suggest a significantly reduced reaction energy barrier after introducing indium into the spinel, and therefore the reaction kinetics are facilitated. Based on the advantages described above, CoIn2Se4 is used as the air cathode for a solid flexible zinc-air battery (FZAB). The system displays an efficient performance that outperforms the Pt@Ir/C catalyst: a significantly enhanced specific capacity of 733 mAh gZn-1, a high energy density of 931 Wh kg-1, and an excellent flexibility with long cycle life performance (over 400 cycles). The CoIn2Se4-based two-series-connected FZABs successfully power light-emitting diode (LED) screens for over 10 h. Meanwhile, CoIn2Se4 also shows a significantly enhanced hydrogen evolution reaction (HER) performance than other samples. Finally, the CoIn2Se4-based electrolyzer shows an efficient overall water-splitting performance with high stability. This work demonstrates that the indium-based ternary selenides show promising applications in developing renewable energy and water-splitting devices.

In this paper, non-rare-earth boron carbon oxynitride (BCNO) long afterglow phosphors were prepared by a rapid self-propagating combustion method. The precursor was obtained using boric acid, melamine and glycine as raw materials and then the BCNO phosphors with optimum luminescence properties were successfully synthesized after calcination of the precursor at 625 °C for 2 h in air atmosphere. The product and its luminescence properties were characterized with X-ray powder diffraction (XRD), Fourier transform infrared (FTIR), scanning electron microscopy (SEM), excitation and emission spectra by fluorescence spectrometer. With the contents of increasing glycine, the luminescence emission peaks of as-prepared BCNO phosphors appear distinctly redshift, which is closely induced by the presence of different types of defects including the paramagnetic centre of nitrogen vacancies (VN), carbon and oxygen related impurity. In addition, the blue-purple emitting phosphors still remain long-lasting luminescence after stopping irradiation by UV light for 10 min. The developed BCNO phosphors have great practical applications in display, illumination, solar cell and biomedical fields.

A series of organic-inorganic hybrid materials BN-T1Ex (T = Tb(BA)3, E = Eu(BA)3) have been synthesized through controllable encapsulation of Tb and Eu complexes into a porous BN host. Under ultraviolet (UV) light excitation, the as-prepared BN-T1Ex samples show characteristic emission peaks of both Tb3+ and Eu3+ ions. The photoluminescence (PL) excitation and emission spectra and fluorescence lifetimes have been measured and discussed in detail. The results reveal that in the BN host, efficient energy transfer from Tb3+ to Eu3+ ions has occurred. By adjusting the ratios of Tb and Eu complexes, the hybrids realize tunable multicolor from green to red. In addition, the emission color of the hybrids can be further changed by adjusting the excitation wavelength and/or introducing of ancillary ligand phen (1,10-phenanthroline) into the samples. The obtained color-tunable organic-inorganic hybrid materials may have potential application in display devices and the UV white-light-emitting diodes (w-LEDs).

Price elasticity and income elasticity can quantitatively measure the impact of price volatility and income diversity on household electricity demand. To analyze household electricity demand and better identify the main factors affecting residential electricity demand elasticity in previous literature, a meta-analysis based on a comprehensive and systematic summary of 103 articles is presented in this study. The influencing factors are identified, with a weighed least squares (WLS) linear regression model to evaluate their strength. The price elasticities and income elasticities are discussed from three dimensions, namely short-term, long-term and unmarked. The results show that residential electricity demand is almost price-inelastic and income-inelastic in the short-term. But in the long-term, some residential electricity demand is price-elastic and income-elastic. The results also reveal that residential electricity demand elasticity is affected by many factors, such as time interval and sample period. These conclusions can support the formulation of more effective electricity price and energy policy.

Boron carbon oxynitride quantum dots (BCNO QDs) with blue emission were prepared via the template of SBA–15 (a typical mesoporous silica). A modulated photoluminescence sensor was developed based on the different quenching effects of Cu2+ or Hg2+ ions on the luminescence intensity of BCNO QDs. The Cu2+ or Hg2+ ions have an interaction with BCNO QDs due to the electrons transfer between the BCNO and Cu2+ or Hg2+ ions, and the detection limit of Cu2+ or Hg2+ ion concentration can be as less as 10 nM. The BCNO–Cr6+ mixture can be served as a turn–on fluorescent sensor for detecting the ascorbic acid based on the inner filter effect since overlapping of excitation and emission spectra between Cr6+ ions and BCNO QDs. Moreover, the BCNO QDs can also be applied to fingerprint identification and organic fluorescent films under ultraviolet excitation.

In this study, a PtPdCu catalyst for formic acid oxidation was synthesized through a one-pot synthesis method. The PtPdCu nanoparticles with truncated-octahedral morphology were obtained by reducing Pt(acac)2, Pd(acac)2 and Cu(acac)2 in ethylene glycol solution under the effects of PVP and KBr. To determine the electrocatalytic performance of the PtPdCu nanoparticles with truncated-octahedral morphology, cyclic voltammetry was carried out in solutions of 0.5 M H2SO4 and 0.5 M H2SO4 containing 1 M HCOOH. According to the electrochemical results, the PtPdCu nanoparaticles possessed higher activity and stability toward the oxidation of formic acid than commercial Pt black due to the addition of Cu and Pd elements.

Boron carbon oxynitride (BCNO) phosphors with red emission were synthesized with solid phase method, and Ag nanoparticles were successfully used to improve the luminescence properties and quantum yields of BCNO phosphors. The spherical Ag nanoparticles with 10–30 nm were distributed evenly on the surface of BCNO phosphors with hexagonal structure. The silver (Ag) nanoparticles did not change the types of chemical bonding status of BCNO while affecting the intensity of some chemical bonds. The Ag nanoparticles can increase the excitation and emission intensity of BCNO phosphors, and the quantum yields of red emission can be improved about 8.4 times. The luminescence enhancement of BCNO phosphors was owing to the localized surface plasmon resonance of Ag nanoparticles and electron transition process between Ag and BCNO phosphors. The effects of Ag nanoparticles on band structure and electron transition process for BCNO phosphors were clarified via theoretical calculation and experimental results.

In order to promote reasonable resource utilization and improve social equity, all cities with gas supply in China has implemented increasing block pricing (IBP) policy for residential natural gas from Jan. 2016. This paper examines the IBP structure of residential natural gas from the perspective of demand analysis. Based on Expenditure-Income Ratio (EIR) method and Extended Linear Expenditure System (ELES), a new EIR-ELES model is proposed to estimate natural gas price affordability of different kinds of residential users by considering the effect of electricity substitute on household natural gas consumption. Taking Beijing as an example, an empirical research is carried out in this paper. The results show that average price elasticity of residential natural gas demand is −0.4621 in 2016, inelastic; residential natural gas average price affordability is between 4.17 and 7.48 CNY/m3 in 2016, which is much higher than the prices in three blocks, but basic volume of demand for residential users with different income levels are much lower than the volume in the first block. Based on these results, future directions and actions for the design and improvement of residential natural gas IBP system are suggested.

The versatility of perovskite crystal structure has become the great advantage of lead halide perovskite nanocrystals (NCs) during their functional applications. Here we report an effective solvothermal method for the controllable synthesis of CsPbBr3 nanoplatelets (NPLs) and their transformation to Cs4PbBr6 NCs. Through solvothermal reaction of a mixture of Cs-oleate and PbBr2 precursors, CsPbBr3 NPLs can be synthesized in mass production. The lateral sizes of CsPbBr3 NPLs can be precisely tuned by varying the solvothermal reaction temperatures and times, while the thickness of NPLs remains constant at ∼4.2 nm, which is in the quantum confinement regime. The fine-tuning of lateral NPL sizes results in precise modulation of their photoluminescence emission. Moreover, an interesting phase transformation from cubic CsPbBr3 NPLs to rhombohedral Cs4PbBr6 NCs, and the reversible transformation from Cs4PbBr6 NCs to CsPbBr3 NPLs can be readily achieved by changing the solvothermal reaction sources. The present s...

Chemical Oxygen Demand (COD) is a key indicator of pollutants in waste water from the agricultural, industrial and household sectors and its abatement has become a key requirement in China. However, the distribution of COD discharge and fresh water resources varies throughout China. Understanding the spatial pattern and factors influencing regional COD discharge in China is vital to efforts in reducing regional discharges. Towards this end, using a multi-regional input-output model (MRIO), this research quantifies the domestic COD footprints (CODF) for individual regions and their interactions in 2010. Our results reveal that China’s COD discharges were primarily from the agricultural sector, with a secondary contribution from the household sector. Of the 30 provinces studied, some eastern coastal provinces with large CODF, e.g., Shanghai, Tianjin and Jiangsu, were net interregional importers. The CODF per capita for the studied regions varied based on the final demand, lifestyle affluence, and availability of pollution-treatment infrastructure. The virtual COD flow patterns were divided into agricultural and industrial discharge, whereby the former flow transfers crossed long distances between the western and eastern regions of China. A comparison of the regional COD flows and their water resources characteristics suggests that Chinese policymakers should design and implement a holistic national plan to reduce the country’s total COD discharge based on supply- and demand-side responsibilities − especially in net exporter regions that lack fresh water. Furthermore, a reduction in the demand for pollution-intensive products and an increase in the demand-side reuse and recycling of resources is vital.

Emulsions are widely used in numerous fields. Therefore, there has been increasing interest in the development of new emulsification strategies toward emulsions with advanced functions. Herein we report the formation of diverse emulsions by host–guest interaction-mediated interfacial self-assembly under mild conditions. In this strategy, a hydrophilic diblock copolymer with one block containing β-cyclodextrin (β-CD) can assemble at the oil/water interface when its aqueous solution is mixed with an oil phase of benzyl alcohol (BA), by host–guest interactions between β-CD and BA. This results in significantly reduced interfacial tension and the formation of switchable emulsions with easily tunable droplet sizes. Furthermore, nanoemulsions with excellent stability are successfully prepared simply via vortexing. The self-assembled oil-in-water emulsions also show catastrophic phase inversion, which can generate stable bicontinuous phase and water-in-oil emulsions, thereby further extending phase structures that can be realized by this host–guest self-assembly approach. Moreover, the host–guest nanoemulsions are able to engineer different nanoparticles and microstructures as well as solubilize a diverse array of hydrophobic drugs and dramatically enhance their oral bioavailability. The host–guest self-assembly emulsification is facile, energetically friendly, and fully translatable to industry, therefore representing a conceptually creative approach toward advanced emulsions., Diverse emulsions can be formed by host−guest interaction-mediated interfacial self-assembly under mild conditions, which are useful for engineering of functional materials and drug delivery.

Reform of energy prices in China has stepped into a crucial stage. It has become a controversial issue after the reform of increasing block tariffs (IBTs) for household electricity, followed by a time-of-use (TOU) pricing policy. Using ELES model, this paper estimates the price elasticity of residential electricity demand; based on perceived price and price elasticity, a power structure model demand response for nonlinear electricity price is proposed; taking Anhui province as a case, this paper analyzes the attainment situation of such policy objectives as electricity saving, consumer welfare, equity improvement and peak shaving, with the introduction of TOU pricing into IBTs for household electricity. The results show that IBTs helps reduce electricity consumption by 0.74%–0.93%, with minor energy effect；IBTs may lead to a maximum 1.57CNY increase of electricity expense per household per month, which is acceptable for residents. It also may reduce cross-subsidy to some extent. After introducing TOU pricing, the efficiency of peak shaving is only 2.25%–2.78%, and the load decrement at peak periods is far lower than the increase at valley periods; while the effect of electricity conservation and cross-subsidy reduction have been alleviated. In other words, peak-valley price is not only difficult to achieve its own objective effectively, but also prohibits the effect of IBTs. Based on the above conclusions, some policy recommendations are provided to improve the price reform of residential electricity, natural gas and other public resources in various regions of China and foreign regions with similar electricity market.

The FDA approved drug suvorexant binds to the horseshoe shape pocket of OX2 R with the boat conformation. The horseshoe shape pocket plays an important role on the biological activity of OX2 R in the cell membrane. To study the binding mechanism between the horseshoe shape pocket of OX2 R and boat conformation of suvorexant, the crystal structures of wild type and N324A mutant of OX2 R in complex with antagonist suvorexant are chosen to perform molecular dynamics (MD) simulations, QM/MM, and MMGBSA calculations. By comparison with the wild type of OX2 R, the results show the 1,2,3-triazole and p-toluamide groups of suvorexant are changed in the N324A mutant of OX2 R during 200 ns MD simulations. The QM/MM and weak interaction analysis are employed to calculate the non-covalent bonds interaction between suvorexant and key residues in the wild type and N324A mutant of OX2 R. The MMGBSA calculations indicate the entropy energy is an important influence factor for suvorexant affinity in the distorted horseshoe shape pocket of OX2 R. Our results not only show the horseshoe shape pocket of OX2 R is the necessary conformation for the binding of antagonist suvorexant, but also give the important sites and structural features for antagonist design of OX2 R.

Multiplexing, one of the main trends in biosensors, aims to detect several analytes simultaneously by integrating miniature sensors on a chip. However, precisely depositing electrode materials and selective enzymes on distinct microelectrode arrays remains an obstacle to massively produced multiplexed sensors. Here, we report on a "drop-on-demand" inkjet printing process to fabricate multiplexed biosensors based on nanostructured conductive hydrogels in which the electrode material and several kinds of enzymes were printed on the electrode arrays one by one by employing a multinozzle inkjet system. The whole inkjet printing process can be finished within three rounds of printing and only one round of alignment. For a page of sensor arrays containing 96 working electrodes, the printing process took merely ∼5 min. The multiplexed assays can detect glucose, lactate, and triglycerides in real time with good selectivity and high sensitivity, and the results in phosphate buffer solutions and calibration serum samples are comparable. The inkjet printing process exhibited advantages of high efficiency and accuracy, which opens substantial possibilities for massive fabrication of integrated multiplexed biosensors for human health monitoring.

Developing highly-efficient adsorbent materials for the removal of Cr(III)/Cr(VI) ions from industrial wastewater is of great importance for environmental pollution control. In this work, density functional theory was used to model the adsorption capacities of Cr(III)/Cr(VI) ions on defective porous boron nitride (p-BN). Our results suggest that both nitrogen (VN) and boron (VB) vacancies contribute to the adsorption of Cr(III)/Cr(VI) ions on p-BN. In the case of a VN defect, the calculated adsorption energy (Eads) values are 3.76 eV and 4.58 eV for single Cr(III) and Cr(VI) ions, respectively, whereas, in the case of a VB defect, the Eads values are 8.55 eV and 10.26 eV for Cr(III) and Cr(VI) ions, respectively. The analysis of the electronic structure reveals that defective levels in the energy gap region strongly affect the adsorption performance of p-BN as an adsorbent. More importantly, we clarify that the strong adsorption of Cr(III)/Cr(VI) ions on defective p-BN is indeed chemical adsorption and not dispersion or electrostatic attraction. High coverage of Cr(III) and Cr(VI) ions and the effect of water solvent molecules were also taken into account. These findings indicate that defective p-BN is an excellent candidate for the removal of Cr(III)/Cr(VI) ions from wastewater.

TiO2(B) nanotubes (NTs) were used as carriers to support metal Cu/Ni nanoparticles for the catalytic hydrolysis of ammonia borane (NH3BH3, AB) under visible light. The TiO2 NTs were first prepared by the hydrothermal method and subsequently loaded with Cu/Ni metal nanoparticles by the impregnation reduction method. The structure, morphology, and chemical composition of the as-obtained catalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDX), transmission electron microscopy (TEM), inductively coupled plasma emission spectroscopy (ICP), and ultraviolet–visible spectroscopy (UV-Vis). The characterization results revealed that the metal nanoparticles were uniformly loaded on the surface of the TiO2 NTs, while the band gap of the catalyst was reduced significantly from 3.22 to 2.68 eV. The catalysts showed an excellent photocatalytic performance towards the hydrolysis of AB for H2 production. Thus, the H2 production rate of Cu0.64Ni0.36-TiO2 NTs reached 5763.86 mL g−1 min−1, with a total turnover frequency (TOF) of 15.90 mol H2 (mol cat)−1 min−1 for a loading volume of metal particles of 5.25 wt%. The results presented herein demonstrate that TiO2(B) can be a potential photocatalyst for effective H2 production, and also provide a cheap and effective approach to improve the light-to-H2 energy conversion.

We demonstrate that the traditional emulsification theory can be enriched by a self-assembly approach, in which hydrophilic copolymers with one block exhibiting noncovalent forces with the oil phase self-assemble at the oil-water interface, thereby reducing interfacial tension and forming emulsions. This approach was established using affinity diblock copolymers that can interact with oil molecules through electrostatic interactions or hydrogen-bonding. Nanoemulsions with excellent stability were successfully obtained simply via vortexing. The self-assembled emulsions showed unexpected catastrophic phase inversion, further extending the phase structures to bicontinuous and reverse emulsions. Complex emulsions could also be fabricated by this strategy. In addition, the thus prepared nanoemulsions can be used to engineer different nanomaterials.

Controlling surface states using different functional groups is an effective and facile way to modulate the fluorescence of carbon dots (CDs), but the underlying mechanisms are still unclear and urgent to solve. In this work, we synthesized red emitting CDs and achieved multiple emission states (red, green and blue emission) by tailoring the surface states with different amino groups. In particular, the luminescence mechanism and the role of surface states were studied in detail. It is found that the multiple emission states are related to the speciation of nitrogen (pyridinic N, pyrrolic N, graphitic N and amino N) on the surface of CDs, of which the fluorophore formed by the deformation of p-phenylenediamine contributes to the red emission, pyridinic N is responsible for the green emission state, and pyrrolic N enhances the blue emission. A possible energy level diagram was proposed to disclose the electron transition process and relative levels induced by different surface groups on CDs. In addition, the modulated CDs with multiple emission states can be used as single light converters to fabricate a white light-emitting diode, which has white light color coordinates of (0.31, 0.32), a high color rendering index (CRI) of 85, a luminous efficiency of 8.8 lm W−1 and good stability.

Rationally designed precursors of N-doped carbon are crucial for high performance carbon materials of supercapacitor electrodes. Herein, we report a scalable preparation of hierarchically structured N-doped carbon of micro/meso porous nanofiber morphology by using a supramolecular assembled polypyrrole as the precursor. The influences of the dose of supramolecular dopant on final products after carbonization and sequential chemical activation were investigated. The interconnected nanofiber backbone allows better electron transport and the optimized hierarchically porous structure of the material exhibits a large specific surface area of 2113.2 m2 g−1. The N content of the carbon is as high as 6.49 atom%, which is favorable to improve the supercapacitive performance via additional reversible redox reaction over pure carbon. The hierarchically porous N-doped carbon electrode delivered an outstanding specific capacitance of 435.6 F g−1 at 0.5 A g−1, significantly higher than that of the control sample derived from undoped polypyrrole samples. Moreover, the capacitance retention is as high as 96.1% after 5000 cycles. This precursor's structural control route is readily applicable to various conducting polymers, and provides a methodology to design carbon materials with advanced structure for developing high-performance supercapacitor electrode materials.

Exploring novel materials for efficient carbon dioxide (CO2) capture and separation is highly desired in environmental and industrial area, which has gain much attention. Herein, by means of density functional theory investigation including dispersion, we show strong and selective CO2 uptake on fluorine-doped porous BN (p-BN) via examining the adsorption properties, electronic structure, work function and charge population of pristine p-BN and F-doped p-BN. Our results indicate that the work function can be significantly reduced by the F atoms-induced impurity states in the band gap of p-BN. Then, we highlight that p-BN with FN defect presents highly desirable adsorption ability of CO2 with an adsorption energy of 4.35 eV, which have been illuminated to be originated from the robust chemical reaction accompanying with charge transfer of −0.491 e. Meanwhile, p-BN with FN exhibit excellent adsorption selectivity to CO2 with a series of adsorptive substances (CO2, N2, H2, CH4, H2S), which suggests promising application potential in CO2 separation. Finally, the stability of F doped p-BN have confirmed by the vibration frequencies and formation energy analyses. Our finding will open a new way to facilitate application of p-BN in CO2 capture and separation.