Search

Interfacial thermal resistance (ITR) is a critical property for the performance of nanostructured devices where phonon mean free paths are larger than the characteristic length scales. The affordable, accurate and reliable prediction of ITR is essential for material selection in thermal management. In this work, the state-of-the-art machine learning methods were employed to realize this. Descriptor selection was conducted to build robust models and provide guidelines on determining the most important characteristics for targets. Firstly, decision tree (DT) was adopted to calculate the descriptor importances. And descriptor subsets with topX highest importances were chosen (topX-DT, X = 20, 15, 10, 5) to build models. To verify the transferability of the descriptors picked by decision tree, models based on kernel ridge regression, Gaussian process regression and K-nearest neighbors were also evaluated. Afterwards, univariate selection (UV) was utilized to sort descriptors. Finally, the top5 common descriptors selected by DT and UV were used to build concise models. The performance of these refined models is comparable to models using all descriptors, which indicates the high accuracy and reliability of these selection methods. Our strategy results in concise machine learning models for a fast prediction of ITR for thermal management applications.

Thermally conductive yet electrically insulating two-dimensional boron nitride nanosheets (BNNSs) have been an ideal choice for the enhanced fillers for improving thermal properties of polymer-based composites. As a nanofiller with an ultrahigh aspect ratio, BNNSs result in conspicuous stacking along the planar direction in the preparation of composites, which results in strong anisotropy of heat transfer and suppresses out-plane thermal dissipation. Thus, it is necessary to facilitate the out-plane heat transfer by building a favorable microstructure. Focusing on the structural design of the nanofiller itself here, we have fabricated a novel three-dimensional nanofiller with improved out-plane connections. Carbon nanotubes (CNTs) have been grown in situ on the surface of BNNSs using chemical vapor deposition. Utilizing these sandwich-like nanostructure BNNSs/CNTs as fillers in the composites, we have assembled diverse sorts of composites, such as flexible films, scleroid 3D mats, painted ink, and viscous grease. Simultaneously, their thermal and insulating properties have been evaluated. A nearly 330% enhancement of out-plane thermal conductivity from the control sample filled with pristine BNNS is achieved, and the composite also exhibits good electrical resistivity of above 7.5 × 10

Flexible, compressible and conductive aerogels were fabricated by incorporating polyaniline (PANI) into bacterial cellulose/chitosan (BC/CH) composites through facile freeze-drying technique. The PANI/BC/CH aerogel fabricated with the BC:CH weight ratio of 1:1 displayed the highest resistance response and showed extremely high sensitivity (1.41 kPa−1), low pressure detection (32 Pa), wide range of pressure deformation and extraordinary stability as a piezoresistive sensor. Polydimethylsiloxane (PDMS) was embedded into PANI/BC/CH aerogels to form PANI/BC/CH PDMS composites that displayed good stability under large mechanical deformation. Furthermore, applications of PANI/BC/CH aerogels and PANI/BC/CH/PDMS composites in piezoresistive sensors for wearable devices were also reported, which could detect human motions, ranging from joint movement to speech recognition, thus suggesting feasibility in health monitoring systems.

Dielectric composites with high thermal conductivity and mechanical strength have great potential in microelectronic packaging. However, conventional composites with excellent thermal conductivity generally possess high electrical conductivity which raises short-circuit problems and unsatisfactory mechanical properties which limits their applications. In this work, dielectric composites with superior thermal and mechanical performance are obtained by fabricating a new type of fillers with three-dimensional (3D) nanostructure. Specially speaking, carbon nanotubes (CNTs) are grown on the surface of boron nitride nanosheets (BNNS) by chemical vapor deposition (CVD), and then utilized as fillers in epoxy resin (BNNS/CNT/Epoxy). The thermal, mechanical and dielectric properties of as-prepared composites are investigated in details. It is shown that the cross-plane thermal conductivity enhancement of the novel composite is as high as 615% compared with the pure epoxy, higher than that of BNNS/Epoxy (380%). Meanwhile, the BNNS/CNT/Epoxy remains a high electrical resistivity of more than 1 Mohm·cm, which is important to avoid short-circuit in electronics. The tensile strength of the composite increases nearly 4 times with the increase of CVD time. These experimental results indicate that the fabricated BNNS/CNT has great potential for reinforcement of composites with wide applications.

Flexible graphene-based paper is promising for wide applications due to its outstanding electrical and thermal conductivities. Graphene flakes with large size are usually known as the key factor for improved paper performance. However, we find that a combination of flakes with large and small sizes is more favorable for both electrical and thermal conductivities than pure large flakes. In this work, flexible paper with enhanced electrical and thermal properties was fabricated by mixing graphene flakes with various size distributions. Large-size graphene (LSG) flakes play the role of a backbone structure, whereas small-size graphene (SSG) flakes fill the voids in the paper without disturbing the high orientation. The physical properties of the as-prepared graphene papers with contents of SSG varying from 0 to 100% have been investigated. It is found that the electrical and thermal conductivities of the paper with 25 wt% SSG are both around 140% higher than that of pure LSG paper. Our results indicate that the lightweight and flexible graphene-based paper has great potential for lateral heat dissipation applications requiring heat movement in a particular direction.

Molybdenum disulfide (MoS2) has attracted a great deal of attention to its unique properties in recent years. In this work, a scalable and green method was developed for the production of high-quality MoS2 nanosheets using shear-assisted supercritical CO2 exfoliation. Our experiments indicate that high temperature, pressure, and shearing speed are favorable to the exfoliation of MoS2. It is found that over 95% of the exfoliated MoS2 nanosheets are less than 10 layers, among which about 50% are 1–4 layers. Raman spectra and XRD patterns reveal that few-layer MoS2 nanosheets with high planar crystal structure are successfully prepared. Moreover, the produced MoS2 has a better stability in N-methyl-pyrrolidone (NMP) than the bulk MoS2. The concentration of the exfoliated MoS2 in NMP after sedimentation for 7 days is as high as 0.97 mg/ml.

Interfacial thermal resistance (ITR) plays a critical role in the thermal properties of a variety of material systems. Accurate and reliable ITR prediction is vital in the structure design and thermal management of nanodevices, aircraft, buildings, etc. However, because ITR is affected by dozens of factors, traditional models have difficulty predicting it. To address this high-dimensional problem, we employ machine learning and deep learning algorithms in this work. First, exploratory data analysis and data visualization were performed on the raw data to obtain a comprehensive picture of the objects. Second, XGBoost was chosen to demonstrate the significance of various descriptors in ITR prediction. Following that, the top 20 descriptors with the highest importance scores were chosen except for fdensity, fmass, and smass, to build concise models based on XGBoost, Kernel Ridge Regression, and deep neural network algorithms. Finally, ensemble learning was used to combine all three models and predict high melting points, high ITR material systems for spacecraft, automotive, building insulation, etc. The predicted ITR of the Pb/diamond high melting point material system was consistent with the experimental value reported in the literature, while the other predicted material systems provide valuable guidelines for experimentalists and engineers searching for high melting point, high ITR material systems.

The scalable production of large quantities of defect-free graphene nanosheets (GNs) with low cost and excellent properties is essential for practical applications. Despite the highly intense research of this area, the mass production of graphene nanosheets with high solubility remains a key challenge. In the present work, we propose a scalable exfoliation process for hydrophilic GNs by ball-milling-assisted supercritical CO2 exfoliation in the presence of poly(vinylpyrrolidone) via the synergetic effect of chemical peeling and mechanical shear forces. The exfoliation difficulty has been reduced due to the intercalation effects of supercritical CO2 molecules. With the ball-milling assistance, the modifier has been introduced onto the edge or/and surface of the GNs. The process results in hydrophilic GNs with little damage to the in-plane structure. The GNs can be dispersed in various solvents with a concentration of up to 0.854 mg/mL (water) and remain stable for several months.

Hexagonal boron nitride nanosheets (BNNS) have been widely investigated as promising fillers for thermal composites because of their high thermal conductivity and electrical insulation, which avoid the short circuit risk effectively when applied in electronics. However, the poor dispersibility and weak interaction with matrix have hindered the further improvement of BNNS based thermal composites. Here, we propose a simple and green amino acid-assisted ball milling exfoliation process for highly hydrophilic glycine (NH2-CH2-COOH)-functionalized BNNS (BNNS-Gly) to improve their dispersion and reduce the thermal interface resistance between fillers and matrix. Three different types of thermal management materials have been prepared by dispersing BNNS-Gly into water, epoxy resin, and cellulose respectively, and their thermal properties have been investigated. As a result, the BNNS-Gly water nanofluid exhibits a 110% increment in thermal conductivity at 1.6 vol% loading compared with pure water. For BNNS-Gly/Epoxy composite, an enhancement of 109% of thermal conductivity compared with pure BNNS/Epoxy is achieved. According to the calculation of the Maxwell-Garnett effective medium theory (EMT) model, the thermal interface resistance between BNNS-Gly and epoxy is reduced by 62%. Besides, the thermal conductivity of BNNS-Gly/cellulose nanofiber (CNF) film reaches up to 16.2 W/mK at 70 wt% loading, which is 1.8-fold of that for BNNS/CNF. In summary, BNNS-Gly fabricated by this work show great advantages in thermal properties compared with widely-used pure BNNS based composites for improved dispersibility and enhanced interaction with matrix.

Facile construction of high-energy Li-ion batteries (LIBs) anode materials with robust heterostructure remains great challenges, especially for the fine integration of active materials with conductive carbon. Here, vertically aligned mixed-phase CoO/Co3O4 nanosheets anchored on wrinkled graphene (CoO/Co3O4/Gra) are controllably synthesized with the assistance of water-removable NaCl-templates through facile freeze-drying and calcination processes. In-depth investigations disclose that the wrinkled graphene induces the bonding with nucleating precursors, and the nanosheets vertically grow along the crystal planes of multilevel-NaCl. The as-formed mesoporous nanosheets-on-network structure endows the hybrids with efficient exposure of mixed-phase CoO/Co3O4 active sites and rapid charge-transfer channels. And the multiple composites can integrate the advantages of their long complements and fully exert their synergistic effects to solve the problems of the single metal oxide electrode. Furthermore, the electrochemical performance of hierarchically mesoporous architecture is beyond that of the single individual structure on account of the sufficient electrode/electrolyte interfaces, rapid Li+ diffusion and electron conduction, and stable structural integrity upon cycling. Accordingly, the capacitive kinetic of Li-storage behaviors is greatly enhanced by these synergistic effects. Serving as a LIBs anode material, the mesoporous CoO/Co3O4/Gra-4 hybrid yields superior reversible capacity (1390 mAh g−1 at 0.1 A g−1), high rate performance (1130 mAh g−1 at 0.2 A g−1), and impressive cycling stability (811 mAh g−1 after 500 cycles at 1 A g−1). This work may inspire the design of high-performance electrodes with advanced 3D hierarchical structures.

Composite material of NiO/CNTs consisting of two-dimensional porous NiO nanosheets threaded by carbon nanotubes was prepared by thermal treatment of Ni(OH) 2 /CNTs obtained from an in-situ hydro-thermal method. The introduction of CNTs during the synthesis processes can effectively prevented the aggregations of NiO nanosheets, and form interpenetrated composite structure. Therefore, porous NiO nanoflakes are threaded by CNTs, leading to the formation of the lightweight composite with different NiO loadings. The as-prepared NiO/CNTs composite is highly porous, effective for microwave absorption. The minimum reflection loss reaches −25.4 dB when the NiO loading is 85 wt% with thickness of 2.0 mm at 10 GHz. This composite material is expected to be a promising candidate as microwave absorbing materials.

Hollow carbon nanospheres (HCNs) with tunable sizes have been successfully prepared by the calcination of hollow copolymer nanospheres. Our findings indicate that compared to the counterpart solid carbon particle, HCNs all achieve substantially enhanced microwave absorption, suggesting that hollow structure plays an important role during microwave absorption. Moreover, further investigation on the effect of different HCNs sizes upon microwave absorption has been conducted. It is found that HCNs with an outer diameter of ∼70 nm and inner diameter of ∼30 nm exhibit the champion EM absorption performance, a minimum reflection loss (RL) of −50.8 dB at 13.5 GHz with a thickness of 1.9 mm, along with the corresponding bandwidth of RL less than −10 dB (90% absorption) covering 4.8 GHz. Notably, such excellent microwave absorption performance, probably as a result of well-matched impedance together with multiple reflection induced by the distinctive hollow structure, demonstrates HCNs to be one of the most competitive carbon-based absorbers to date. More importantly, this study provides an effective strategy to tune the microwave performance via tailoring the sizes of HCNs.

The formation of bis-hexahapto bonds between graphitic surfaces can electronically interconnect the surfaces of carbon materials containing the polybenzenoid ring system and increase the conductivity without introducing a strong perturbation to the in-plane electronic structure. In this paper, we report the use of organometallic chemistry to interconnect the surfaces of small scale graphene nanoplatelets by using a variety of metals and photochemically activated organometallic reagents.

A novel adsorbent based on zeolitic imidazolate framework-67 (ZIF-67, a sort of metal-organic framework) modified bacterial cellulose/chitosan (BC/CH) composite aerogel was prepared through a facile method combining physical mixture, in situ synthesis, and lyophilization. The water stability of CH aerogel was improved by incorporating BC nanofibers instead of using environmentally unfriendly chemical crosslinking agent. The loading rate of ZIF-67 was as high as 46.1% and the BET specific surface area of ZIF-67/BC/CH aerogel reached to 268.7 m2 g−1, which was much larger than that of BC/CH aerogel (8.4 m2 g−1). The as-prepared ZIF-67/BC/CH aerogel was employed to remove heavy metal ions and organic dye in aqueous solution. The adsorption capacities of the composite aerogel for Cu2+ and Cr6+ were 200.6 mg g−1 and 152.1 mg g−1, respectively. Moreover, the adsorption mechanism was investigated by X-ray photoelectron spectroscopy (XPS). Besides, the aerogel also showed almost 100% of removal rate toward active red X-3B through one time of adsorption. Consequently, the ZIF-67/BC/CH aerogel, as a novel and high efficient adsorbent, has a good application potential for wastewater treatment.

Flexible graphite nanoplatelets (GNPs)–copper nanowires (Cu NWs) composites of a sandwich-like structure were prepared by a simple filtration method. Cu NWs were sandwiched between GNPs films (G/NWs/G). The sandwiched structure results in conductivity up to 3.18 × 105 S m−1, higher than the reported graphene based papers and bulk graphite. The performance of the sandwiched papers is further improved to 8.65 × 105 S m−1 through mechanical pressing. Compared to the pure Cu NWs film, the sandwiched composite is oxidation resistant and stable in air, thus promising as candidates for high performance flexible electronics.

Boron nitride nanosheets (BNNS) hold the similar two-dimensional structure as graphene and unique properties complementary to graphene, which makes it attractive in application ranging from electronics to energy storage. The exfoliation of boron nitride (BN) still remains challenge and hinders the applications of BNNS. In this work, the preparation of BNNS has been realized by a shear-assisted supercritical CO2 exfoliation process, during which supercritical CO2 intercalates and diffuses between boron nitride layers, and then the exfoliation of BN layers is obtained in the rapid depressurization process by overcoming the van der Waals forces. Our results indicate that the bulk boron nitride has been successfully exfoliated into thin nanosheets with an average 6 layers. It is found that the produced BNNS is well-dispersed in isopropyl alcohol (IPA) with a higher extinction coefficient compared with the bulk BN. Moreover, the BNNS/epoxy composite used as thermal interface materials has been prepared. The introduction of BNNS results in a 313% enhancement in thermal conductivity. Our results demonstrate that BNNS produced by supercritical CO2 exfoliation show great potential applications for heat dissipation of high efficiency electronics.

Encapsulation of sulfur in HiPCO-SWNTs leads to large changes in the Raman spectra with the appearance of new peaks at 319, 395, and 715 cm–1 which originate from the sulfur species within the SWNTs, while the high frequency SWNT bands (ν > 1200 cm–1) are decreased in intensity. The encapsulated species also shifts the near-IR interband electronic transitions to lower energy by more than 10%. These effects seem to originate with the van der Waals interaction of the confined sulfur species with the walls of the SWNTs which are not expected to be significant in the case of the previously studied large diameter SWNTs. We suggest that sulfur in the small diameter SWNTs exists as a helical polymeric sulfur chain that enters the SWNT interior in the form of S2 (3Σg–) molecules which undergo polymerization to linear diradicals. Fil: Li, Guanghui. University of California; Estados Unidos Fil: Fu, Chengyin. University of California; Estados Unidos Fil: Oviedo, María Belén. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. University of California; Estados Unidos Fil: Chen, Mingguang. University of California; Estados Unidos Fil: Tian, Xiaojuan. University of California; Estados Unidos Fil: Bekyarova, Elena. University of California; Estados Unidos Fil: Itkis, Mikhail. University of California; Estados Unidos Fil: Wong, Bryan. University of California; Estados Unidos Fil: Guo, Juchen. University of California; Estados Unidos Fil: Haddon, Robert. University of California; Estados Unidos