| Transition metal and N doping on AlP monolayers for bifunctional oxygen electrocatalysts: density functional theory study assisted by machine learning description X Liu, Y Zhang, W Wang, Y Chen, W Xiao, T Liu, Z Zhong, Z Luo, Z Ding, ... ACS Applied Materials & Interfaces 14 (1), 1249-1259, 2021 | 74 | 2021 |
| Structural, mechanical, and electronic properties of 25 kinds of III–V binary monolayers: A computational study with first-principles calculation XF Liu, ZJ Luo, X Zhou, JM Wei, Y Wang, X Guo, B Lv, Z Ding Chinese Physics B 28 (8), 086105, 2019 | 54 | 2019 |
| Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS4 by DFT and machine learning T Liu, X Zhao, X Liu*, W Xiao, Z Luo, W Wang, Y Zhang, JC Liu Journal of Energy Chemistry, 2023 | 40 | 2023 |
| Tunable electronic properties of graphene/g-AlN heterostructure: the effect of vacancy and strain engineering X Liu, Z Zhang, Z Luo, B Lv, Z Ding Nanomaterials 9 (12), 1674, 2019 | 38 | 2019 |
| Strain engineering in single-atom catalysts: GaPS 4 for bifunctional oxygen reduction and evolution X Liu, T Liu, W Xiao, W Wang, Y Zhang, G Wang, Z Luo, JC Liu Inorganic Chemistry Frontiers 9 (16), 4272-4280, 2022 | 32 | 2022 |
| Tunable properties of ZnSe/graphene heterostructure as a promising candidate for photo/electro-catalyst applications Y Zhang, J Wei, T Liu, Z Zhong, Z Luo, W Xiao, B Lv, X Zhou, X Liu* Applied Surface Science 574, 151679, 2022 | 31 | 2022 |
| Extrapolated defect transition level in two-dimensional materials: the case of charged native point defects in monolayer hexagonal boron nitride X Liu, Z Gao, V Wang, Z Luo, B Lv, Z Ding, Z Zhang ACS applied materials & interfaces 12 (14), 17055-17061, 2020 | 25 | 2020 |
| Thermal transport property of novel two-dimensional nitride phosphorus: An ab initio study B Lv, X Hu, N Wang, J Song, X Liu, Z Gao Applied Surface Science 559, 149463, 2021 | 19 | 2021 |
| Highly anisotropic electronic and mechanical properties of monolayer and bilayer As2S3 X Liu, Z Zhang, Z Ding, B Lv, Z Luo, JS Wang, Z Gao Applied Surface Science 542, 148665, 2021 | 17 | 2021 |
| Theoretical Calculation of Hydrogen Evolution Reaction in Two-dimensional As2X3 (X= S, Se, Te) Doped with Transition Metal Atoms X Zhao, Y Yang, Y Hu, G Wang, D Wang, Y Wei, S Zhou, J Bi, W Xiao, ... Applied Surface Science, 156475, 2023 | 15 | 2023 |
| Rational design synergistic metal-free dual-atom electrocatalyst for N2 to NH3 reaction on g-CN: A first principle study X Liu, Y Zhang, T Liu, W Wang, Z Luo, Z Zhang, W Xiao Applied Surface Science 605, 154831, 2022 | 14 | 2022 |
| Density Functional Theory Study on the Enhancement Mechanism of the Photocatalytic Properties of the g-C3N4/BiOBr(001) Heterostructure W Yao, D Li, S Wei, X Liu, X Liu, W Wang ACS omega 7 (41), 36479-36488, 2022 | 13 | 2022 |
| GaPS2Se2 Monolayer: Novel Stable 2D Janus Semiconductor with Anisotropic Properties for Spontaneous Water splitting under the Irradiation of Solar Light Y Zhang, X Liu*, Z Wang, X Chen, W Xiao, T Liu, W Gong, X Zhou, X Pei, ... Journal of Materials Chemistry C 10, 17135-17144, 2022 | 13 | 2022 |
| Thermal transport properties of novel two-dimensional CSe B Lv, X Hu, X Liu, Z Zhang, J Song, Z Luo, Z Gao Physical Chemistry Chemical Physics 22 (32), 17833-17841, 2020 | 12 | 2020 |
| The Study on Structural and Photoelectric Properties of Zincblende InGaN via First Principles Calculation JW Juan Song, Zijiang Luo,Xuefei Liu, Ershi Li,Chong Jiang,Zechen Huang ... Crystals 10 (12), 1159, 2020 | 11 | 2020 |
| The rational co-doping strategy of transition metal and non-metal atoms on g-CN for highly efficient hydrogen evolution by DFT and machine learning Y Yang, X Zhao, T Liu, Y Zhang, Y Hu, X Liu*, G Wang, D Wang, J Bi, ... International Journal of Hydrogen Energy 56, 949-958, 2024 | 10 | 2024 |
| External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: A first-principles study X Liu, B Lv, Z Ding, Z Luo Applied Surface Science 535, 147701, 2021 | 10 | 2021 |
| Impact of the vertical strain on the Schottky barrier height for graphene/AlN heterojunction: a study by the first-principles method X Liu, Z Zhang, B Lv, Z Ding, Z Luo The European Physical Journal B 94, 1-7, 2021 | 9 | 2021 |
| The External Electric Field-Induced Tunability of the Schottky Barrier Height in Graphene/AlN Interface: A Study by First-Principles X Liu, Z Zhang, B Lv, Z Ding, Z Luo Nanomaterials 10 (9), 1794, 2020 | 9 | 2020 |
| Native Point Defects in Monolayer Hexagonal Boron Phosphide from First Principles Z Luo, Y Ma, X Yang, B Lv, Z Gao, Z Ding, X Liu* Journal of Electronic Materials, 1-8, 2020 | 9 | 2020 |
Wentao WangGuizhou Education UniversityAdresse e-mail validée de gznc.edu.cn
