引用次数
引用: 1,950
H-指数: 15
I10-指数 : 19
出版物: 37
Inhibiting in situ phase transition in Ruddlesden-Popper perovskite via tailoring bond hybridization and its application in oxygen permeation
Jan Fransaer , Ning Han , Shiping Huang , Shaomin Liu
Matter 4 ( 5) 1720 -1734
44
2021
Unveiling structural, electronic properties and chemical bonding of (VH2)n (n=10-30) nanoclusters: DFT investigation.
Na Lv , Xiangyu Guo , Lihong Zhang , Irfan Ali Soomro
Journal of Molecular Graphics & Modelling 106 107907 -107907
2021
Transition metal atoms (Fe, Co, Ni, Cu, Zn) doped RuIr surface for the hydrogen evolution reaction: A first-principles study
Shiping Huang , Xiangyu Guo , Manman Ren
Applied Surface Science 556 149801
17
2021
Two-dimensional transition metal diborides: promising Dirac electrocatalysts with large reaction regions toward efficient N2 fixation
Xuemin Hu , Shiying Guo , Shengli Zhang , Xiangyu Guo
Journal of Materials Chemistry 7 ( 45) 25887 -25893
10
2019
Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts.
Xiangyu Guo , Jinxing Gu , Shiru Lin , Shengli Zhang
Journal of the American Chemical Society 142 ( 12) 5709 -5721
427
2020
Enhanced selective adsorption ability of Cu 2 O nanoparticles for anionic dye by sulfur incorporation
Jiaxing Sun , Tao Song , Junwen Wang , Xiangyu Guo
SN Applied Sciences 2 ( 6) 1 -14
2020
Probing the Geometric and Electronic Effects of Aluminum–Magnesium Clusters on Reactivity Toward Oxygen
Lihong Zhang , Xiangliang Ma , Xiangyu Guo , Ning Wang
Journal of Cluster Science 32 ( 2) 445 -460
1
2021
Promotion Effect of Pt-Substituted Rh 55 Cluster Toward NO Adsorption and Dissociation: A First-Principles Study
Man Xue , Lihong Zhang , Xiangyu Guo , Ning Wang
Journal of Cluster Science 32 ( 3) 673 -682
2021
Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction
Xiangyu Guo , Shiru Lin , Jinxing Gu , Shengli Zhang
Advanced Functional Materials 31 ( 6) 2008056
75
2021
Effects of the coordination number on H2O dissociation reaction on the surface of Zr5nO10n (n=4–9) nanoparticles: A DFT approach
Yucheng Xu , Ning Wang , Xiangyu Guo , Shiping Huang
International Journal of Hydrogen Energy 44 ( 59) 31029 -31040
1
2019
Coordination tailoring towards efficient single-atom catalysts for N2 fixation: A case study of iron-nitrogen-carbon (Fe@N-C) systems
Xiangyu Guo , Jinxing Gu , Xuemin Hu , Shengli Zhang
Catalysis Today 350 91 -99
39
2020
Structural, magnetic and electronic properties of CunNi55−n (n = 0–55) nanoparticles: Combination artificial bee colony algorithm with DFT
Yan Sun , Shanggou Liu , Xiangyu Guo , Shiping Huang
Computational and Theoretical Chemistry 1154 11 -16
4
2019
Analysis and assessment of the structural, electronic properties of (ZrH2)n (n = 5–24) clusters: Density function theory calculations
Muhammad Amin Khan , Ning Wang , Lihong Zhang , Xiangyu Guo
Computational and Theoretical Chemistry 1188 112940
2020
Tuning nitrogen reduction reaction activity via controllable Fe magnetic moment: A computational study of single Fe atom supported on defective graphene
Xiangyu Guo , Shiping Huang
Electrochimica Acta 284 392 -399
133
2018
Simultaneously Achieving High Activity and Selectivity toward Two-Electron O2 Electroreduction: The Power of Single-Atom Catalysts
Xiangyu Guo , Shiru Lin , Jinxing Gu , Shengli Zhang
ACS Catalysis 9 ( 12) 11042 -11054
194
2019
Single Ru atom supported on defective graphene for water splitting: DFT and microkinetic investigation
Xiangyu Guo , Shangguo Liu , Shiping Huang
International Journal of Hydrogen Energy 43 ( 10) 4880 -4892
38
2018
Bandgap engineering in MnPS3 and ZnPS3 for photocatalytic water splitting: a first-principles study
Lihong Zhang , Xiangyu Guo , Shiping Huang ,
International Journal of Hydrogen Energy 46 ( 53) 26950 -26960
9
2021
Building up the “Genome” of bi-atom catalysts toward efficient HER/OER/ORR
Lihong Zhang , Xiangyu Guo , Shengli Zhang , Shiping Huang
Journal of Materials Chemistry A 10 ( 21) 11600 -11612
11
2022
Tailoring 2-electron oxygen reduction reaction selectivity on h-BN-based single-atom catalysts from superoxide dismutase: A DFT investigation
Yu Zou , Xiangyu Guo , Xiaoqiong Bian , Yongfan Zhang
Applied Surface Science 592 153233
3
2022
Coordination-tuned Fe single-atom catalyst for efficient CO2 electroreduction: The power of B atom
Manman Ren , Xiangyu Guo , Shiping Huang
Chemical Engineering Journal 433 134270
9
2022