| Ti3C2‐MXene Partially Derived Hierarchical 1D/2D TiO2/Ti3C2 Heterostructure Electrode for High‐Performance Capacitive Deionization N Liu, L Yu, B Liu, F Yu, L Li, Y Xiao, J Yang, J Ma Advanced Science 10 (2), 2204041, 2023 | 115 | 2023 |
| Transition‐metal borides (MBenes) as new high‐efficiency catalysts for nitric oxide electroreduction to ammonia by a high‐throughput approach Y Xiao, C Shen Small 17 (24), 2100776, 2021 | 99 | 2021 |
| Fluorine-free prepared two-dimensional molybdenum boride (MBene) as a promising anode for lithium-ion batteries with superior electrochemical performance W Xiong, X Feng, Y Xiao, T Huang, X Li, Z Huang, S Ye, Y Li, X Ren, ... Chemical Engineering Journal 446, 137466, 2022 | 89 | 2022 |
| High throughput screening of M 3 C 2 MXenes for efficient CO 2 reduction conversion into hydrocarbon fuels Y Xiao, W Zhang Nanoscale 12 (14), 7660-7673, 2020 | 89 | 2020 |
| Mechanism of electrocatalytically active precious metal (Ni, Pd, Pt, and Ru) complexes in the graphene basal plane for ORR applications in novel fuel cells W Zhang, Y Xiao Energy & Fuels 34 (2), 2425-2434, 2020 | 80 | 2020 |
| A reverse‐defect‐engineering strategy toward high edge‐nitrogen‐doped nanotube‐like carbon for high‐capacity and stable sodium ion capture M Liang, N Liu, X Zhang, Y Xiao, J Yang, F Yu, J Ma Advanced Functional Materials 32 (49), 2209741, 2022 | 78 | 2022 |
| Theoretical Establishment and Screening of an Efficient Catalyst for N2 Electroreduction on Two-Dimensional Transition-Metal Borides (MBenes) Y Xiao, C Shen, T Long Chemistry of Materials 33 (11), 4023-4034, 2021 | 65 | 2021 |
| Adsorption mechanisms of Mo2CrC2 MXenes as potential anode materials for metal-ion batteries: a first-principles investigation Y Xiao, W Zhang Applied Surface Science 513, 145883, 2020 | 61 | 2020 |
| The potential application of 2D Ti2CT2 (T= C, O and S) monolayer MXenes as anodes for Na-ion batteries: A theoretical study Y Xiao, Y Ding, H Cheng, Z Lu Computational Materials Science 163, 267-277, 2019 | 59 | 2019 |
| A strategy to address the challenge of electrochemical CO2 and N2 coupling to synthesis urea on two-dimensional metal borides (MBenes) by computational screening Y Xiao, C Shen, Z Xiong, J Li, W Zhang Materials Today Physics 26, 100726, 2022 | 44 | 2022 |
| Quantum Mechanical Screening of 2D MBenes for the Electroreduction of CO2 to C1 Hydrocarbon Fuels Y Xiao, C Shen, N Hadaeghi The Journal of Physical Chemistry Letters 12 (27), 6370-6382, 2021 | 40 | 2021 |
| Oxygen-rich nanoflake-interlaced carbon microspheres for potassium-ion battery anodes W Xiong, J Zhang, Y Xiao, Y Zhu, Z Wang, Z Lu Chemical Communications 56 (23), 3433-3436, 2020 | 36 | 2020 |
| High-Throughput Approach Exploitation: Two-Dimensional Double-Metal Sulfide (M2S2) of Efficient Electrocatalysts for Oxygen Reduction Reaction in Fuel Cells Y Xiao, L Tang Energy & Fuels 34 (4), 5006-5015, 2020 | 34 | 2020 |
| Screening and prediction of metal-doped α-borophene monolayer for nitric oxide elimination Y Xiao, C Shen, WB Zhang Materials Today Chemistry 25, 100958, 2022 | 32 | 2022 |
| Theoretical scanning of bimetallic alloy for designing efficient N2 electroreduction catalyst R Chen, D Chen, Y Xiao Materials Today Energy 20, 100684, 2021 | 31 | 2021 |
| Screening of the transition metal single atom anchored on α-borophene catalysts as a feasible strategy for electrosynthesis of urea Z Xiong, Y Xiao, C Shen Chemistry of Materials 34 (21), 9402-9413, 2022 | 30 | 2022 |
| High-throughput calculation investigations on the electrocatalytic activity of codoped single metal–nitrogen embedded in graphene for ORR mechanism Y Xiao, W Zhang Electrocatalysis 11, 393-404, 2020 | 28 | 2020 |
| A new promising catalytic activity on blue phosphorene nitrogen-doped nanosheets for the ORR as cathode in nonaqueous Li–air batteries Y Xiao, J Wang, Y Wang, W Zhang Applied Surface Science 488, 620-628, 2019 | 24 | 2019 |
| The electronic properties of hydrogenated Janus MoSSe monolayer: a first principles investigation X Zhang, Y Song, F Zhang, Q Fan, H Jin, S Chen, Y Jin, S Gao, Y Xiao, ... Materials Research Express 6 (10), 105055, 2019 | 21 | 2019 |
| DFT analysis elementary reaction steps of catalytic activity for ORR on metal-, nitrogen-co-doped graphite embedded structure Y Xiao, W Zhang SN Applied Sciences 2, 1-11, 2020 | 20 | 2020 |