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This study presents the synthesis and electrochemical evaluation of nitrogen-doped vanadium oxide (N−V2O3/C) as a cathode material for aqueous zinc-ion batteries (AZIBs), using a hydrothermal method. Compared to undoped V2O3/C, N−V2O3/C exhibits enhanced electrical conductivity, capacity, and electrochemical kinetics, attributed to the incorporation of pyridinic and pyrrolic nitrogen. The initial charge–discharge cycles indicate phase transitions to amorphous vanadium oxides, enhancing conductivity. N−V2O3/C shows a high specific capacity of 168.4 mAh g−1 at 10 A g−1 and remarkable reversibility, highlighted by the transient existence of intermediate species during cycling. Optimal electrochemical performance is achieved with a vanadium-to-nitrogen molar ratio of 2:3, indicating the significant impact of the nitrogen doping concentration on the material's efficiency. This work underscores the potential of N−V2O3/C as a superior cathode material for AZIBs. [ABSTRACT FROM AUTHOR]

Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre- and post-oxygen defect (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25·8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g−1 at 0.1 A g−1, underscoring its promise for advanced energy storage solutions. [ABSTRACT FROM AUTHOR]

2D boron nitride shows great promise in the photoelectric device, deep UV emitter and field effect transistor with good thermal stability, high mechanical robustness and chemical inertness; nonetheless, its inherently low electrical conductivity and small pore size have severely hindered the electrochemical kinetics and lead to a poor rate capability. Herein, we design a novel porous 3D−B2N2 structure by assembling the orthorhombic B2N2 monolayer into t‐C24 lattice and assesse its feasibility as the anode material of sodium(SIBs)/potassium(PIBs) ion batteries. The ab initio molecular dynamics (AIMD) simulation, Born‐Huang criteria, phonon spectrum and cohesive energy calculations confirms that the resulting 3D−B2N2 possesses excellent mechanical, thermal and dynamical stability. Different from the pristine h‐B2N2, an improved electrical conductivity is observed for 3D−B2N2 with a small band gap of 0.66 eV. Moreover, the low mass density, unique porous structure and strong adsorption energy make the 3D−B2N2 an outstanding electrode material for SIBs/PIBs with high storage capacities of 599.90 (479.92) mA h/g, low averaged open circuit voltages of 0.13 (0.27) V, low diffusion barriers of 0.04 (0.008) eV, and small volume expansions of 0.96 % (2.63 %). All the encouraging findings reveal that the 3D−B2N2 anode deserves further experimental investigation for SIBs/PIBs. [ABSTRACT FROM AUTHOR]

We demonstrate the construction of heterojunction arrays for boosting solar water splitting by combining in situ guided growth of heterointerfaces and energy band tuning. By directly growing an ultrathin Fe2WO6 layer on a preformed WO3 nanosheet array in full coverage, a uniform and dense array of intimately contacted WO3/Fe2WO6 heterojunction was created. The heterojunction array shows not only a largely broadened visible light absorption range but also a built-in interface polarization to accelerate hole transfer from WO3 to Fe2WO6. Meanwhile, fine-tuning to match energy levels at the heterojunction was achieved by doping WO3 with Fe (Fe-WO3), leading to improved electrical conductivity and reduced charge recombination. Photoanodes based on such heterojunction arrays have shown significantly enhanced photoelectrochemical (PEC) water splitting performance, clearly arising from the above-mentioned efforts. Furthermore, by decorating FeOOH/NiOOH cocatalysts on the heterojunction arrays in tandem, the surface water oxidation kinetics was considerably accelerated, and the resulting Fe-WO3/Fe2WO6/FeOOH/NiOOH photoanode achieved a photocurrent density of 2.78 mA/cm2 at 1.23 V vs reversible hydrogen electrode. This work highlights the benefits of in situ construction of heterojunction arrays for enhancing the PEC performance. [ABSTRACT FROM AUTHOR]

Silicon has received great interest in the development of next-generation metal ion batteries (MIBs) due to its extremely high capacity; however, the large volume expansion during intercalation process and intrinsically low electrical conductivity has severely hindered its electrochemical performance. In this work, we theoretically report that the recently-developed BSi 4 monolayer is an appealing candidate as a flexible anode for high-performance MIBs. The BSi 4 anode exhibits high mechanical and thermal stability with inherent metallicity, which is very advantageous for the fast electronic transport during battery cycle. All metal atoms are stably deposited on the anode surface with high ion mobility. The lowest diffusion barrier is predicted to be 0.33 eV for Li, 0.22 eV for Na, and 0.17 eV for K. Remarkably, the BSi 4 anode possesses high Li/Na/K storage capacities of 1087.97, 1087.97 and 870.37 mA h/g, and low averaged open circuit voltages of 0.80, 0.52 and 0.63 V. Moreover, the BSi 4 anode could withstand a large ultimate strain of 16.72 % (20.27 %) along zigzag (armchair) direction, showing a good mechanical flexibility. [Display omitted] • A detailed investigation of BSi 4 monolayer as a MIB anode is performed. • High electrical conductivity and good mechanical flexibility are found in the BSi 4 monolayer. • The BSi 4 anode delivers a high storage capacity for Li/Na/K (1087.97, 1087.97 and 870.37 mA h/g). • The lowest Li/Na/K diffusion barriers on the BSi 4 anode are 0.33, 0.22 and 0.17 eV, respectively. [ABSTRACT FROM AUTHOR]

Silicon-based 2D materials have garnered significant attention as outstanding anodes of alkali metal ion batteries (MIBs); nevertheless, the poor electrical conductivity and mechanical property have severely hindered their practical application. In this work, we conducted a detailed first principles calculation to examine a newly-developed 2D silicon-boron binary compound (named B 2 Si) as the anode of MIBs. The B 2 Si anode harbors the intrinsic metallicity and exhibits low Li/Na/K diffusion barriers of 0.26, 0.14 and 0.09 eV, which makes a great contribution to the high rate performance. The storage capacities for Li/Na/K are predicted to be 1908.57, 583.48 and 431.97 mA h/g, respectively, superior to the commercial graphite anode. Moreover, the B 2 Si anode has good mechanical property and structural flexibility, which could avoid destroying its structure on the metal ion intercalation/deintercalation process. These fascinating features render the B 2 Si monolayer an exceptional anode of MIBs. [ABSTRACT FROM AUTHOR]

We report on high dielectric constant (8.3 × 103, 104 Hz), low dielectric loss (0.029, 104 Hz) as well as fine grain size (∼840 nm) achieved in pure CaCu 3 Ti 4 O 12 (CCTO) ceramics through a combination of sol–gel method, spark plasma sintering and annealing process. By adjusting the sintering temperature and annealing conditions, the composition variations, valence states and microstructures of CCTO ceramics are systematically studied, which provide direct clues in understanding the origin of their excellent dielectric response. Through the studies on the dielectric, impedance, modulus and conductivity properties of CCTO ceramics, a modified brick-layer model based on two interfacial polarizations originating from sub-grain boundary and grain boundary barriers is proposed to explain their dielectric behaviors. The high dielectric constant of CCTO ceramics is mainly dominated by the sub-grain contribution; and the reduced dielectric loss is attributed to the decreases of electrical conductivity and relaxation loss. [ABSTRACT FROM AUTHOR]

Y 2 O 3 -stabilized tetragonal ZrO 2 polycrystal (Y-TZP) composites with various TiC contents were successfully synthesized via a modified hydrothermal-assisted sol-gel method. Fine precursor powders can be obtained with high crystallinity, nanoscale grain size and uniform morphology. SEM images of the ceramic products show that TiC particles are distributed homogeneously in the final Y-TZP matrix, and their average grain sizes are approximately 390–670 nm and 150–230 nm for the Y-TZP and TiC phases, respectively. A higher TiC volume fraction has a negative effect on the relative density and hardness but a significant positive influence on electrical conductivity. The electrical conductivity values are increased from 115 S/m to 1.23 × 105 S/m with TiC contents varying, demonstrating that the percolation threshold is approximately as low as 11.6 vol% for the samples, which is much lower than those of previous Y-TZP/TiC ceramics. The high electrical performance is probably due to the high D (the diameters of the insulating particles)/d (the diameters of conductive particles) ratio and submicron-sized grains. [ABSTRACT FROM AUTHOR]

Developing highly efficient host materials to suppress the lithium polysulfides (LiPSs) shuttling and accelerate the Li 2 S conversion is essential for advanced lithium-sulfur (Li–S) batteries. In this work, based on first principles computations, we explored transition metal embedded C 2 N monolayers (M@C 2 N, M = Mn, Fe, Co, Ni, Cu) as host materials and catalysts for Li–S batteries. Our results show that M@C 2 N monolayers could prevent the LiPSs shuttling with strong adsorption energies towards LiPSs, due to the synergistic effect of M-S and Li–N bonds. Moreover, the presence of transition metal atoms in the C 2 N could improve its electric conductivity. On the whole lithiation process, all the adsorbed systems are still conductive, which is helpful to boost the sulfur utilization. Importantly, M@C 2 N monolayers could promote the Li 2 S decomposition and thus enhance the oxidation kinetics of Li 2 S back to sulfur. Among them, Co@C 2 N monolayer is the best host material, which possesses the largest adsorption energies with LiPSs and the lowest decomposition energy of Li 2 S. This work opens a new avenue for the development of host materials with excellent catalytic activity towards LiPSs, and also sheds light on M@C 2 N as superior cathode materials. [ABSTRACT FROM AUTHOR]

• B 2 P 2 possesses semimetal nature, moderate Young's modulus and excellent mechanical flexibility. • B 2 P 2 exhibits low ion diffusion barriers and open circuit voltage. • The theoretical capacities of B 2 P 2 in Na, K and Ca-ion batteries are 1282.34, 854.89, 1282.34 mA h/g, respectively. • B 2 P 2 is a promising Dirac anode to achieve high-performance Na, K and Ca-ion batteries. Non-lithium ion batteries (NLIBs) have received great interest in the next generation renewable energy storage due to their intrinsic safety and low cost; nonetheless, searching for a high-performance anode still remains a great challenge. Herein, using first principles calculations, we have evaluated the feasibility of recently developed borophosphene (B 2 P 2) as a Dirac anode of NLIBs. Our results demonstrate that Na, K, Ca could form stable adsorption on the B 2 P 2 along with the adsorption energy of −1.27 – −0.36 eV. The B 2 P 2 exhibits a semimetal characteristic, ensuing excellent conductivity for the rapid electron transport. Moreover, diffusion barriers of Na, K and Ca are 0.10, 0.07 and 0.33 eV, respectively, indicative of high ion mobility. The specific capacities in Na, K and Ca-ion batteries are up to 1282.34, 854.89 and 1282.34 mA h/g, which are significantly larger than that of commercial electrode. Furthermore, B 2 P 2 could withstand large ultimate strain (>16%) and shows a good mechanical flexibility, which are of great benefit to accommodate its volumetric expansion and contraction during cycling. Given its high electrical conductivity, large adsorption energy, high specific capacity, fast ion diffusion and excellent mechanical property, B 2 P 2 is a potential anode to achieve advanced Na, K and Ca-ion batteries. [ABSTRACT FROM AUTHOR]

Janus MoSSe monolayer has been widely considered as an appealing anode for lithium-ion batteries (LIBs), owing to its suitable open circuit voltage, low diffusion barrier and high specific capacity. However, Janus MoSSe suffers from low electrical conductivity and poor mechanical property, resulting in a rapid capacity decay during cycling. Thus, in this work, we proposed two MoSSe/graphene (SMoSe/G and SeMoS/G) heterostructures as anodes of LIBs, which not only eliminate the drawbacks of MoSSe but also integrate the advantages of individual components. By means of first principles computations, we have systematically investigated the structural, electronic, mechanical and electrochemical properties of MoSSe/graphene heterostructures. Our results show that MoSSe/graphene heterostructures possess good structural stability, superior Li-ion conductivity and high mechanical stiffness (Y x (y) , S M o S e / G =459.8 N/m; Y x (y) , S e M o S / G = 459.3 N/m). Due to the synergistic effect between MoSSe and graphene, the adsorption energies of Li in heterostructures are much larger than those of pristine MoSSe and graphene. Accordingly, the MoSSe/G heterostructures achieve a high theoretical capacity of 560.59 mA h/g. Moreover, the diffusion barriers in SMoSe/G and SeMoS/G heterostructures are 0.17 and 0.22 eV, respectively, ensuring high mobility of Li. All these encouraging results demonstrate that the MoSSe/graphene heterostructures are high-performance anodes for advanced LIBs. Image 1 • A detailed investigation of MoSSe/G heterostructures as LIB anodes are carried out. • Improved electrical conductivity and mechanical stiffness are observed in the MoSSe/G heterostructures. • The MoSSe/G heterostructures possess a high specific capacity of 560.59 mA h/g and suitable open circuit voltage. • The diffusion barriers of SMoSe/G and SeMoS/G heterostructures are 0.17 and 0.22 eV, respectively. [ABSTRACT FROM AUTHOR]

• VS 2 /BlueP heterostructures as anodes could combine the advantages of VS 2 and BlueP. • Improved electrical conductivity and mechanical property are observed in the heterostructures. • VS 2 /BlueP heterostructures possess a high specific capacity of 1211.34 mA h/g. In this work, based on first principles calculations and molecular dynamics simulation, we systematically investigated the VS 2 /blue phosphorene (BlueP) heterostructures as potential anodes for LIBs. Our results show that both H-VS 2 /BlueP and T-VS 2 /BlueP heterostructures exhibit metallic characteristics, ensuring good electrical conductivity for the fast electron transport. The Young's moduli (187.3 N/m for H-VS 2 /BlueP and 183.4 N/m for T-VS 2 /BlueP), mechanical flexibility (ultimate strains > 16%) and adsorption energy of VS 2 /BlueP heterostructures are remarkably improved in comparison with pristine BlueP. Such improved mechanical property and adsorption energy are of great significance to suppress the anode pulverization on the whole lithium intercalation–deintercalation process. Moreover, the specific capacities of VS 2 /BlueP heterostructures are up to 1211.34 mA h/g (multi-layer Li adsorption), which are much higher than pristine BlueP and commercial graphite anodes. In addition, diffusion barriers in the H-VS 2 /BlueP and T-VS 2 /BlueP heterostructures are 0.17, 0.16 eV, respectively, implying high mobility of Li. All these encouraging results indicate that VS 2 /BlueP heterostructures are promising anodes to achieve advanced LIBs. [ABSTRACT FROM AUTHOR]

The electronic local density of states of a single Co3O4 semiconductor nanowire with the diameter of 3 nm is explored using low-temperature scanning tunneling microscopy and spectroscopy. The energy gap between the conduction band and valence band of the nanowire is about 1.7 eV, which is slightly enhanced compared to the bulk value, ∼1.5 eV, due to the quantum confinement effect. Two surface states are observed locating near the Fermi level in the band gap. [ABSTRACT FROM AUTHOR]

• The C 3 N/BlueP heterostructure as an anode material for Li-ion batteries combines the advantages of C 3 N and BlueP. • Enhanced electrical conductivity and mechanical stability are observed in the C 3 N/BlueP heterostructure. • The C 3 N/BlueP heterostructure possesses a high specific capacity of 1092 mA h/g and low diffusion barrier of 0.12 eV. Two dimensional heterostructures could not only combine each other's advantages, but also compensate for their drawbacks. In this work, we systematically investigated the C 3 N/blue phosphorene (C 3 N/BlueP) heterostructure as an anode material for Li-ion batteries (LIBs) based on the comprehensive first principles computations. Our results show that the C 3 N/BlueP heterostructure possesses good structural stability and ultra-high stiffness (Y x = 417.3 N/m). The band gap of C 3 N/BlueP heterostructure is 0.026 eV, exhibiting good electrical conductivity for fast electron transport. Attributed to the synergistic effect, the adsorption energy of Li in the interface region of C 3 N/BlueP heterostructure (−2.057 to −1.898 eV) is greatly increased in comparison with pristine C 3 N (−0.563 eV) and BlueP (−1.852 eV). Consequently, the specific capacity is up to 1092 mA h/g, which far exceeds those of other BlueP-based heterostructures and commercial graphite (372 mA h/g). Additionally, the diffusion barrier for the C 3 N/BlueP heterostructure is only 0.12 eV, implying fast Li migration. Given these exceptional properties, that is, good electrical conductivity, ultra-high stiffness, high specific capacity and low diffusion barrier, it could be concluded that the C 3 N/BlueP heterostructure is an appealing anode material for high-performance LIBs. [ABSTRACT FROM AUTHOR]

The electrocatalytic N 2 reduction reaction (NRR) under ambient conditions is a green and sustainable method for ammonia (NH 3) synthesis, and the development of efficient electrocatalysts for NRR is a top priority. In recent years, LaFeO 3 has been widely used in the field of catalysis because of its high stability, low cost, and green advantages. Through strategies such as heteroatom doping and carbon loading, we can effectively increase the content of oxygen vacancies and improve the electrical conductivity of the material to produce composites with unique electronic structures and excellent catalytic properties. In the present work, we prepared single-atom doped LaFeO 3 /activated porous carbon composites (LFC/AC) for electrocatalytic NRR. The NH 3 yield and Faraday efficiency of LFC/AC were the highest at 23.876 μg h−1 mg−1 and 6.53% in 0.1 M Na 2 SO 4 electrolyte solution, both of which were higher than those of LFC. A series of characterizations and tests have shown that LFC/AC has excellent stability, electrical conductivity, and electrocatalytic properties. The density flooding theory (DFT) simulations were performed to explore the main mechanisms to improve the NRR performance of the materials. • Porous carbon is the LFC/AC with higher specific surface area. • The introduction of Cu atoms brings more oxygen vacancies to promote the NRR reaction. • The loose and porous structure is more conducive to the adsorption of N 2. [ABSTRACT FROM AUTHOR]

Copper sheath is the first choice for manufacturing high-Tc superconducting wires and tapes because of its high electrical and thermal conductivities, low-cost and good mechanical properties. However, Cu can easily react with superconducting cores, such as BSCCO, MgB2 and pnictides, and therefore drastically decrease the transport Jc. Here, we report the fabrication of Cu-sheathed Sr1−xKxFe2As2 tapes with superior Jc performance using a simple hot pressing method that is capable of eliminating the lengthy high-temperature sintering. We obtained high-quality Sr1−xKxFe2As2 tapes with processing at 800 oC for 30 minutes and measured high Tc and sharp transition. By this rapid fabrication, Cu sheath does not give rise to apparent reaction layer, and only slightly diffuses into Sr-122 core. As a consequence, we achieved high transport Jc of 3.1 × 104 A/cm2 in 10 T and 2.7 × 104 A/cm2 in 14 T at 4.2 K. The in-field Jc performance is by far the highest reported for Cu-sheathed high-Tc conductors. More importantly, Cu-sheathed Sr-122 tapes also showed a high Je value of 1.0 × 104 A/cm2 in 10 T at 4.2 K, which has reached the widely accepted practical level for applications. These results demonstrate that Cu is a very promising sheath for the practical application of pnictide conductors. [ABSTRACT FROM AUTHOR]

Due to the earth-abundant potassium resource and intrinsic safety, potassium ion batteries (KIBs) are widely regarded as a promising alternative to lithium ion batteries. Nonetheless, the development of KIBs is very slow and severely impeded by the lack of a suitable anode material. Herein, based on the comprehensive first principles computations, we systematically explored the recently developed phosphorus carbide (P 2 C 3) monolayer as an anode of KIBs. Our results demonstrate that P 2 C 3 exhibits a metallic characteristic, providing good electrical conductivity for the rapid electronic transport. Meanwhile, P 2 C 3 monolayer possesses excellent mechanical flexibility and large adsorption energy (−3.25 to −2.41 eV), which could avoid the anode pulverization during cycling. Furthermore, the theoretical capacity of P 2 C 3 is 729.28 mA h/g, higher than most of the reported KIBs anode materials. The lowest diffusion barrier of K ion is only 0.0053 eV. All these appealing results demonstrate that P 2 C 3 monolayer is an outstanding flexible anode of KIBs. [Display omitted] • A detailed investigation of P 2 C 3 monolayer as a KIB anode are carried out. • Excellent electrical conductivity and mechanical flexibility are observed in the P 2 C 3 monolayer. • The P 2 C 3 monolayer delivers a high specific capacity of 729.28 mA h/g. • The lowest diffusion barrier of P 2 C 3 monolayer is 0.0053 eV. [ABSTRACT FROM AUTHOR]

Achieving high rate capability of porous carbon at high mass loading is important for developing advanced supercapacitors. But it still remains a big challenge because thick electrode causes severely reduced electric conductivity and blocked ion migration channels. Herein, we develop a micelle-induced assembly method to prepare conductive porous carbon through puzzling flexible graphene quantum dots (GQDs). The unique sp2 hybridized GQDs ensure the product with a two times higher electric conductivity than the commercial activated carbon. The interconnected mesoporous structure promotes robust ion transport kinetics especially at high mass loadings. As supercapacitor electrode, it shows high capacitances of 315 and 170 F g−1 at 1 and 100 A g−1, respectively. Importantly, at a very high mass loading of 20 mg cm−2, it shows a remarkably high areal capacitances of 2.8 F cm−2 at 10 A g−1, which is much better than other reported carbon materials. The symmetric supercapacitors show maximum energy densities of 9.21 and 6.45 Wh kg−1 at the mass loadings of 2 mg cm−2 and 20 mg cm−2, respectively, revealing the structural advantage of GQD-puzzled porous carbon for practical applications. Conductive porous carbon prepared by micelle-induced assembly of graphene quantum dots shows high capacitive and rate performance at high mass loadings due to sufficient ion and electron transport paths. Image 1 • Porous carbon with high conductivity was prepared using the sp2 hybridized GQDs. • Sufficient electron/ion transport paths enable robust electrochemical kinetics. • The sample shows remarkable rate performance especially at high mass loadings. [ABSTRACT FROM AUTHOR]

Due to the high specific capacity and low open circuit voltage (OCV), 2D siligraphene has been widely considered as a promising anode material for metal ion batteries (MIBs). Nonetheless, its electrochemical performance is greatly impeded by low mechanical stiffness, poor hopping dynamics and small pore size. Motivated by the great success of 3D carbon materials, we propose a metallic porous 3D-SiC anode using the corresponding 2D tetragonal SiC as a structural unit. By first principles molecular dynamics, mechanical property and phonon spectrum calculations, it is found that 3D-SiC possesses good thermal, mechanical and dynamical stability. The maximum Young's and bulk moduli of 3D-SiC are 217.16, 400.90 GPa, respectively, exhibiting a moderate mechanical stiffness. More importantly, the intrinsically high electrical conductivity, unique porous structure and low mass density make the 3D-SiC a promising anode candidate for Li/Na/K-ion batteries with small volume changes (6.43 %, 3.75 % and 8.66 %), low diffusion barriers (0.17, 0.19 and 0.017 eV), high storage capacities (947, 947 and 724 mA h/g) and low average OCVs (0.56, 0.34 and 0.11 V). The encouraging results show that siligraphene-based porous 3D anodes are worthy of further investigation for MIBs. [Display omitted] • The porous 3D-SiC is an appealing anode material for Li/Na/K-ion batteries. • Low diffusion barriers of 0.17, 0.19 and 0.017 eV. • Low average open-circuit-voltages of 0.56, 0.34 and 0.11 V. • High storage capacities of 947, 947 and 724 mA h/g. [ABSTRACT FROM AUTHOR]

[Display omitted] • The electrochemical performance of monolayer (bilayer) SiC 3 and SiC 5 as anodes of potassium ion batteries is systematically investigated. • Siligraphene possesses excellent mechanical property, good electrical conductivity, high ionic mobility and suitable open circuit voltage. • The specific capacities of monolayer (bilayer) SiC 3 and SiC 5 are 1151.61 (628.15), 1065.95 (609.11) mA h/g, respectively. • Siligraphene is a promising anode to achieve high-performance potassium ion batteries. Potassium ion batteries (PIBs) show great promise in the next-generation renewable energy storage owing to the high energy density, earth abundance and low cost of potassium; however, the lack of an appropriate anode material is a major obstacle to realize high-performance PIBs. Herein, on the base of first-principles computations, we systematically explored the feasibility of emerging 2D SiC 3 and SiC 5 (called siligraphene) as the anodes of PIBs. Our computational results reveal that potassium atoms could be stably adsorbed on monolayer (bilayer) SiC 3 and SiC 5 with the adsorption energy in the range of −0.32 - −0.04 eV. Benefiting from the semi-metallic nature, the SiC 3 (SiC 5) monolayer could provide excellent conductivity for rapid electron transport. Moreover, the potassium diffusion barrier on SiC 3 (SiC 5) is only 0.12 (0.028) eV, indicative of a fast charging/discharging capability. The theoretical capacities of monolayer (bilayer) SiC 3 and SiC 5 are up to 1151.61 (628.15), 1065.95 (609.11) mA h/g. Meanwhile, the good mechanical property and favorable structural recovery of SiC 3 (SiC 5)-based 2D materials indicate an excellent cycle reversibility. All the encouraging results suggest that SiC 3 (SiC 5) could be utilized as an outstanding anode for advanced PIBs. [ABSTRACT FROM AUTHOR]