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Yuejie Liu

ORCID: 0000-0002-3246-6417
Observed ORCID: 0000-0002-3246-6417
OpenAlex ID: A5072446383
Coordination tunes the activity and selectivity of the nitrogen reduction reaction on single-atom iron catalysts: a computational study
2020 · Dongxu Jiao, Yuejie Liu, et al. · Journal of Materials Chemistry A · 207
Pyrrolic-nitrogen doped graphene: a metal-free electrocatalyst with high efficiency and selectivity for the reduction of carbon dioxide to formic acid: a computational study
2016 · Yuejie Liu, Jingxiang Zhao, et al. · Physical Chemistry Chemical Physics · 140
Single metal atom anchored on porous boron nitride nanosheet for efficient collaborative urea electrosynthesis: A computational study
2022 · Lingyi Kong, Dongxu Jiao, et al. · Chemical Engineering Journal · 71
Fe– and Co–P 4 -embedded graphenes as electrocatalysts for the oxygen reduction reaction: theoretical insights
2015 · Liyan Feng, Yuejie Liu, et al. · Physical Chemistry Chemical Physics · 53
Mo 2 P Monolayer as a Superior Electrocatalyst for Urea Synthesis from Nitrogen and Carbon Dioxide Fixation: A Computational Study
2022 · Dongxu Jiao, Zhongxu Wang, et al. · Energy & environment materials · 47
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Two-dimensional π-conjugated osmium bis(dithiolene) complex (OsC4S4) as a promising electrocatalyst for ambient nitrogen reduction to ammonia
2019 · Xin Liu, Zhongxu Wang, et al. · Applied Surface Science · 47
Supported Cu 3 clusters on graphitic carbon nitride as an efficient catalyst for CO electroreduction to propene
2022 · Yuting Sun, Shuang Wang, et al. · Journal of Materials Chemistry A · 30
RuN2 Monolayer: A Highly Efficient Electrocatalyst for Oxygen Reduction Reaction
2020 · Jingjing Jia, Zhe Chen, et al. · ACS Applied Materials & Interfaces · 29
Size-dependent electrocatalytic activity of ORR/OER on palladium nanoclusters anchored on defective MoS 2 monolayers
2020 · Fan He, Yuejie Liu, et al. · New Journal of Chemistry · 29
Capture and catalytic conversion of lithium polysulfides by metal-doped MoS2 monolayers for lithium–sulfur batteries: A computational study
2021 · Wanjiao Cui, Hongyan Li, et al. · Physica E Low-dimensional Systems and Nanostructures · 22
PtN 3 -Embedded graphene as an efficient catalyst for electrochemical reduction of nitrobenzene to aniline: a theoretical study
2020 · Shuang Wang, Yuejie Liu, et al. · Physical Chemistry Chemical Physics · 19
Doping MoS 2 monolayer with nonmetal atoms to tune its electronic and magnetic properties, and chemical activity: a computational study
2019 · Xin Wen, Shansheng Yu, et al. · New Journal of Chemistry · 17
Designing high-performance catalysts for urea electrosynthesis: synergy between single atoms and BC 3 monolayers
2025 · Wanying Guo, Yuwei Yan, et al. · Journal of Materials Chemistry A · 14
Size−selected Cu4 cluster anchored on C2N monolayer for efficient nitrite electroreduction to ammonia: a computational study
2023 · Meiqi Yang, Zhongxu Wang, et al. · Applied Surface Science · 14
Computational Design of a Two-Dimensional Copper Carbide Monolayer as a Highly Efficient Catalyst for Carbon Monoxide Electroreduction to Ethanol
2023 · Yuchen Xiang, Yuting Sun, et al. · ACS Applied Materials & Interfaces · 13
Boosting the hydrogen evolution reaction on NiTe monolayers via defect engineering: a computational study
2024 · Yuchen Xiang, Yuting Sun, et al. · Inorganic Chemistry Frontiers · 9
Vacancy-induced high activity of MoS 2 monolayers for CO electroreduction: a computational study
2021 · Dongxu Jiao, Yu Tian, et al. · Sustainable Energy & Fuels · 6
DFT-based study on the mechanisms of the oxygen reduction reaction on Co(acetylacetonate) 2 supported by N-doped graphene nanoribbon
2016 · Nan Wang, Yuejie Liu, et al. · RSC Advances · 5
The characteristics and mechanism NO formation during hydroxylated fuels/NH3 oxidation in oxy-fuel atmospheres
2024 · Qining Wu, Zhijun Sun, et al. · Energy · 4
Single-Atom Catalysts Dispersed on Graphitic Carbon Nitride (g-CN): Eley–Rideal-Driven CO-to-Ethanol Conversion
2025 · Jing Wang, Qiuli Song, et al. · Nanomaterials · 3
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Computational Study on the Catalytic Performance of Single-Atom Catalysts Anchored on g-CN for Electrochemical Oxidation of Formic Acid
2023 · Abdul Qadeer, Meiqi Yang, et al. · Catalysts · 2
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Computational screening of main-group doped β-antimonene electrocatalysts for enhanced electrochemical nitric oxide reduction to ammonia
2026 · Jing Wang, Zhenghaoyang Zhu, et al. · Colloids and Surfaces A Physicochemical and Engineering Aspects · 1
Screening antimonene-based single-atom catalysts for nitric oxide electroreduction to ammonia by density functional theory computations
2026 · Qiuli Song, Zhenghaoyang Zhu, et al. · New Journal of Chemistry · 1
A first-Principles and machine learning study of electrocatalytic nitrate reduction to ammonia on single-atom covalent organic frameworks
2026 · Xinyue Mo, Zhenghaoyang Zhu, et al. · International Journal of Hydrogen Energy
Screening two-dimensional metal–organic frameworks for electrocatalytic NO reduction: locking a near-zero limiting potential on Zn-HHTP
2026 · Yingqi Liu, Qi Zhang, et al. · New Journal of Chemistry
Works count: 25
Citation count: 783
H-index: 14
I10-index: 15
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