杨维结 - 华北电力大学（保定）

个人简介

杨维结，男，1990年8月生，汉族，河北唐山人，副教授，硕士生导师，氢能科学与工程教研室主任。2019年毕业于华北电力大学热能工程专业，工学博士。科研项目（1）2021.01-2023.12: 国家自然青年科学基金资助项目，《单原子铁催化剂构筑及其对燃煤烟气中NO/Hg的催化氧化机理》，主持；（2）2020.01-2022.12: 河北省自然青年科学基金资助项目，《ZIF-8基单原子Fe催化剂低温催化NH3-SCR的反应机理及抗中毒机制研究》，主持学术兼职（1）Frontiers in Energy Research (IF=3.8) SCI期刊的Associate Editor（副编辑）；（2）International Journal of Energy Research (IF=5.1) SCI期刊的Academic Editors（编委）。荣誉称号（1）2020年，荣获河北省优秀博士学位论文；（2）2020年，荣获Royal Society of Chemistry的2020 Emerging Investigators；（3）2021年，荣获2020-2021年度优秀班主任称号；

研究领域

基于DFT理论计算的能源环境材料设计与制备，包括固态储氢材料设计、用于污染物脱除的单原子催化剂研发、基于机器学习的燃煤电站污染物生成机理与控制策略等

近期论文

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Weijie Yang, Zhenhe Jia, Binghui Zhou, Liugang Chen, Xunlei Ding, Long Jiao, Huiling Zheng,Zhengyang Gao,* Qiang Wang,* and Hao Li*. Why Is C−C Coupling in CO2 Reduction Still Difffcult on Dual-Atom Electrocatalysts?, ACS Catalysis, 2023, 13, 9695−9705. Weijie Yang, Liugang Chen, Binghui Zhou, Zhenhe Jia, Xiaoshuo Liu, Yanfeng Liu, Hao Li,*and Zhengyang Gao*. NO Oxidation Using H2O2 at a Single-Atom Iron Catalyst, The Journal of Physical Chemistry C, 2023, 127, 13011−13020. Shuai Dong, Chaoqun Li, Jinhui Wang, Hao Liu, Zhao Ding, Zhengyang Gao, Weijie Yang*, Wei Lv, Li Wei, Ying Wu*, Hao Li*. The “Burst Effect” of Hydrogen Desorption in MgH2 Dehydrogenation, Journal of Materials Chemistry A, 2022,10 : 22363-22372. Weijie Yang, Binghui Zhou, Liugang Chen, Ruiyang Shi, Hao Li, Xiaoshuo Liu*, Zhengyang Gao*. Coordination engineering for single-atom catalysts in bifunctional oxidation NO and mercury, Fuel, 2023, 349 : 128751. Zhijian Liu, Jihao Wei, Guikai Zhang*, Dewang Zhang, Jing Zhang, Weijie Yang*, Chongchong Wu, Ian D. Gates. Excellent room temperature catalytic activity for formaldehyde oxidation on a single-atom iron catalyst in a moist atmosphere, Journal of Materials Chemistry A, 2023, 11 : 1978-1990. Weijie Yang, Zhenhe Jia, Binghui Zhou, Li Wei, Zhengyang Gao, Hao Li. Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity, Communications Chemistry, 2023, 6 (6) . Weijie Yang*, Xuelu Chen, Liugang Chen, Yajun Feng, Chongchong Wu, Xunlei Ding, Zhengyang Gao, Yanfeng Liu, Hao Li*. Design of Single-Atom Catalysts for Hg0 Oxidation Using H2O2, The Journal of Physical Chemistry C, 2022, 126 (50) : 21234–21242. Weijie Yang, Binghui Zhou, Yongqian Zhang, Jianuo Ren, Chongchong Wu, Ian D. Gates, Yanfeng Liu, Zhengyang Gao*. A novel low-temperature Fe-Fe double-atom catalyst for a “fast SCR” reaction, Molecular Catalysis, 2022, 533 : 112769. Weijie Yang, Binghui Zhou, Zhenhe Jia, Chongchong Wu, Li Wei, Zhengyang Gao*, Hao Li*. Coordination Engineering of Single-Atom Iron Catalysts for Oxygen Evolution Reaction, ChemCatChem, 2022, 14 (22) : 202201016. Lijun Fang, Zhenxing Li, Chongchong Wu, Shaohui Jiao, Zhengyang Gao, Ian D. Gates, Xunlei Ding, Weijie Yang*. Understanding adsorption mechanisms of mercury over unburned carbon, Fuel, 2023, 333 (1) : 126399. Shuai Dong, Jinhui Wang, Chaoqun Li, Hao Liu, Zhengyang Gao, Chongchong Wu, Weijie Yang*. Simultaneous catalytic oxidation mechanism of NO and Hg0 over single-atom iron catalyst, Applied Surface Science, 2023, 609 (30) : 155298. Weijie Yang, Yajun Feng, Xuelu Chen, Chongchong Wu, Fei Wang, Zhengyang Gao*, Yanfeng Liu*, Xunlei Ding, Hao Li*. Understanding Trends in the NO Oxidation Activity of Single-Atom Catalysts, Journal of Environmental Chemical Engineering, 2022, 10 (6) : 108744. Xiaojun Zhao, Songzhao Duan, Binghui Zhou, Zhengyang Gao, Ian D. Gates, Weijie Yang*. Rapid Hierarchical Screening for Promising Ternary and Quaternary Inorganic Solid-State Electrolytes, The Journal of Physical Chemistry C, 2022, 126 (37) : 15996–16005. Ming Lei*, Huixin Ren, Shengxuan Luo, Weijing Yang, Zhengyang Gao*. Analysis of the adsorption characteristics of gasification pollutants (HCl, COS, H2S, NH3 and HCN) on Ti-anchored graphene substrates, Surface Science, 2022, 725 : 122148. Shuai Dong, Chaoqun Li, Erfei Lv, Jinhui Wang, Hao Liu, Zhengyang Gao, Wei Xiong*, Zhao Ding, Weijie Yang*, Hao Li*. MgH2/single-atom heterojunctions: effective hydrogen storage materials with facile dehydrogenation, Journal of Materials Chemistry A, 2022,10 : 19839-19851. Zhengyang Gao, Yang Bai, Min Wang, Guangyang Mao, Xiaoshuo Liu, Peng Gao, Weijie Yang, Xunlei Ding*, Jianxi Yao. Novel Prediction Model of Band Gap in Organic−Inorganic Hybrid Perovskites Based on a Simple Cluster Model Database, The Journal of Physical Chemistry C, 2022, 126 (31) : 13409–13415. Weijie Yang, Xuelu Chen, Yajun Feng, Fei Wang, Zhengyang Gao, Yanfeng Liu*, Xunlei Ding*, Hao Li*. Understanding trends in the mercury oxidation activity of single-atom catalysts, Environmental Science: Nano, 2022, 9 : 2041-2050. Yan Chen, Xunlei Ding*, Luona Yang, Yaya Wang, Joseph Israel Gurti, Mengmeng Wang, Wei Li, Xin Wang, Weijie Yang*. Small practical cluster models for perovskites based on the similarity criterion of central location environment and their applications, Physical Chemistry Chemical Physics, 2022, 24 : 14375-14389. Kai Ma, Di Zheng, Weijie Yang, Chongchong Wu*, Shuai Dong, Zhengyang Gao, Xiaojun Zhao. A computational study on the adsorption of arsenic pollutants on graphene-based single-atom iron adsorbents, Physical Chemistry Chemical Physics, 2022, 24 : 13156-13170. Weijie Yang, Xiaoshuo Liu, Xuelu Chen, Yue Cao, Shaoping Cui, Long Jiao, Chongchong Wu, Chuanmin Chen, Dong Fu, Ian D. Gates, Zhengyang Gao*, Hai-Long Jiang*. A Sulfur-Tolerant MOF-Based Single-Atom Fe Catalyst for Efficient Oxidation of NO and Hg0, Advanced Materials, 2022, 34 (20) : 2110123. Xiaoshuo Liu, Yang Bai, Shengyi Chen, Chongchong Wu, Ian D. Gates, Tianfang Huang, Wei Li, Weijie Yang, Zhengyang Gao, Jianxi Yao, Xunlei Ding. A descriptor for the structural stability of organic–inorganic hybrid perovskites based on binding mechanism in electronic structure, Journal of Molecular Modeling , 2022, 28 (80). Weijie Yang, Jiajia Li, Xuelu Chen, Yajun Feng, Chongchong Wu, Ian D. Gates, Zhengyang Gao*, Xunlei Ding*, Jianxi Yao*, Hao Li*. Exploring the Effects of Ionic Defects on the Stability of CsPbI3 with a Deep Learning Potential, ChemPhysChem, 2022, 23 (7) : 202100841. Li-Li Ling, Weijie Yang, Peng Yan, Min Wang, Hai-Long Jiang*. Light-Assisted CO2 Hydrogenation over Pd3Cu@UiO-66 Promoted by Active Sites in Close Proximity, Angewandte Chemie, 2021, 61 (12) : 16396. Shengxuan Luo, Ming Lei*, Huixin Ren, Chaojie Huang, Weijie Yang, Zhengyang Gao*. Density functional theory investigation of As4 adsorption on Ti, V, Cr, Mn-doped graphene, Surface Science, 2022, 720 : 122049. Zhengyang Gao, Guangyang Mao, Shengyi Chen, Yang Bai, Peng Gao, Chongchong Wu, Ian D. Gates, Weijie Yang*, Xunlei Ding*, Jianxi Yao. High throughput screening of promising lead-free inorganic halide double perovskites via first-principles calculations, Physical Chemistry Chemical Physics, 2022, 24 : 3460-3469. Quanhui Hou, Xinglin Yang*, Jiaqi Zhang, Weijie Yang, Erfei Lv. Catalytic effect of NiO/C derived from Ni-UMOFNs on the hydrogen storage performance of magnesium hydride, Journal of Alloys and Compounds, 2022, 899 (5) : 163314. Long Jiao, Juntong Zhu, Yan Zhang, Weijie Yang, Siyuan Zhou, Aowen Li, Chenfan Xie, Xusheng Zheng, Wu Zhou, Shu-Hong Yu, Hai-Long Jiang*. Non-Bonding Interaction of Neighboring Fe and Ni Single-Atom Pairs on MOF-Derived N‑Doped Carbon for Enhanced CO2 Electroreduction, Journal of the American Chemical Society, 2021, 143 (46) : 19417–19424. Chongchong Wu, Weijie Yang, Jacky Jingyi Wang, Hao Li*, Ian D. Gates*. Methane activation on dual-atom catalysts supported on graphene, Chemical Communication, 2021, 57 : 12127. Zhao Ding, Weijie Yang*, Kaifu Huo*, Leon Shaw. Thermodynamics and Kinetics Tuning of LiBH4 for Hydrongen Storage, Progreess in Chemistry, 2021, 33 (9) : 1586-1597. Luona Yang, Yan Chen, Xin Wang, Jiajun Deng, Wenjie Wang*, Xunlei Ding*, Weijie Yang*, Jianxi Yao*. First-Principles Study on the Stability and Electronic Properties of Dion−Jacobson Halide A′(MA)n−1BnX3n+1 Perovskites, The Journal of Physical Chemistry C, 2021, 125 (43) : 24096–24104. Kai Ma, Erfei Lv, Di Zheng, Weichun Cui*, Shuai Dong, Weijie Yang, Zhengyang GaO, Yu Zhou. A First-Principles Study on Titanium-Decorated Adsorbent for Hydrogen Storage, Energies, 2021, 14 : 6845. Zhengyang Gao, Min Wang, Hanwen Zhang, Shengyi Chen, Chongchong Wu, Ian D. Gates, Weijie Yang**, Xunlei Ding*, Jianxi Yao***. Design of (C3N2H5)(1-x)CsxPbI3 as a novel hybrid perovskite with strong stability and excellent photoelectric performance: A theoretical prediction, Solar Energy Materials & Solar Cells, 2021, 233 : 111401. Weijie Yang, Zhengyang Gao*, Xiaoshuo Liu, Chuanzhi Ma, Xunlei Dingb*, Weiping Yan. Directly catalytic reduction of NO without NH3 by single atom iron catalyst: A DFT calculation, Fuel, 2019, 243 (1) : 262–270. Hao Li, Shaopeng Xu, Min Wang, Ziheng Chen, Fengfeng Ji, Kewei Cheng, Zhengyang Gao, Zhao Ding, Weijie Yang*. Computational Design of (100) Alloy Surfaces for Hydrogen Evolution Reaction, Journal of Materials Chemistry A, 2020, 8 : 17987-17997. Weijie Yang, Jianuo Ren, Jiajia Li, Hanwen Zhang, Kai Ma, Qingwu Wang, Zhengyang Gao*, Chongchong Wu, Ian D. Gates. A novel Fe-Co double-atom catalyst with high low-temperature activity and strong water-resistant for O3 decomposition: A theoretical exploration, Journal of Hazardous Materials, 2022, 421 (5) : 126639. Ming Lei*, Yanchao Zhang, Mengyao Wang, Weijing Yang, Zhengyang Gao*. Density functional theory investigation of As4, As2 and AsH3 adsorption on Ti-doped graphene, Chemical Engineering Journal, 2021, 421 (1) : 129747. Weijie Yang, Jianuo Ren, Hanwen Zhang, Jiajia Li, Chongchong Wu, Ian D. Gates, Zhengyang Gao*. Single-atom iron as a promising low-temperature catalyst for selective catalytic reduction of NOx with NH3: A theoretical prediction, Fuel, 2021, 302 (15) : 121041. Zhengyang Gao, Hanwen Zhang, Guangyang Mao, Jianuo Ren, Ziheng Chen, Chongchong Wu, Ian D. Gates, Weijie Yang*, Xunlei Ding*, Jianxi Yao*. Screening for lead-free inorganic double perovskites with suitable band gaps and high stability using combined machine learning and DFT calculation, Applied Surface Science, 2021, 568 (1) : 150916. Zhengyang Gao, Shengyi Chen, Yang Bai, Min Wang, Xiaoshuo Liu, Weijie Yang*, Wei Li, Xunlei Ding*, Jianxi Yao*. A new perspective for evaluating the photoelectric performance of organic–inorganic hybrid perovskites based on the DFT calculations of excited states, Physical Chemistry Chemical Physics, 2021, 23 : 11548-11556. Shuai Dong, Erfei Lv, Jinhui Wang, Chaoqun Li, Kai Ma, Zhengyang Gao, Weijie Yang*, Zhao Ding*, Chongchong Wu, Ian D. Gates*. Construction of transition metal-decorated boron doped twin-graphene for hydrogen storage: A theoretical prediction, Fuel, 2021, 304 (15) : 121351. Chongchong Wu, Weijie Yang, Jingyi Wang, Ranjani Kannaiyan, Ian D. Gates*. CO2 adsorption and dissociation on single and double iron atomic molybdenum disulfide catalysts: A DFT study, Fuel, 2021, 305 (1) : 121547. Xiaojun Zhao, Peng Wang, Erfei Lv, Chongchong Wu, Kai Ma, Zhengyang Gao, Ian D. Gates, Weijie Yang*. Screening MXenes for novel anode material of lithium-ion batteries with high capacity and stability: A DFT calculation, Applied Surface Science, 2021, 569 (15) : 151050. Xing Ma, Hang Liu, Weijie Yang, Guangyang Mao, Lirong Zheng, Hai-Long Jiang*. Modulating Coordination Environment of Single-Atom Catalysts and Their Proximity to Photosensitive Units for Boosting MOF Photocatalysis, Journal of the American Chemical Society, 2021, 143 (31) : 12220–12229. Luyan Li, Zhixin Li, Weijie Yang, Yamin Huang, Gang Huang, Qiaoqiao Guan, Yemin Dong, Junling Lu, Shu-Hong Yu, Hai-Long Jiang*. Integration of Pd nanoparticles with engineered pore walls in MOFs for enhanced catalysis, Chem, 2021, 7 (3) : 686-698. Yan Zhang, Long Jiao, Weijie Yang, Chenfan Xie, Hai-Long Jiang*. Rational Fabrication of Low-Coordinate Single-Atom Ni Electrocatalysts by MOFs for Highly Selective CO2 Reduction, Angewandet Chemie, 2021, 60 (14) : 7607-7611. Yan Zhang, Long Jiao, Weijie Yang, Chenfan Xie, Hai-Long Jiang*. Rational Fabrication of Low-Coordinate Single-Atom Ni Electrocatalysts by MOFs for Highly Selective CO2 Reduction, Angewandet Chemie, 2021, 60 (14) : 7607-7611. Runlong Hao*, Zheng Wang, Chen Tang, Zhengyang Gao, Bo Yuan, Weijie Yang*, Yi Zhao*. Reaction Behavior and Cost-Effectiveness of Halogen Radicals in Hg0 Removal: Performance, Kinetics, and Mechanism, ACS EST Engg, 2021, 1 : 66−75.