助理教授 硕士生导师
Email: yumao@hnu.edu.cn






基本信息
毛羽，男，理学博士，助理教授。2015年获华东理工大学应用化学学士学位，2019年获英国贝尔法斯特女王大学博士学位，2020年加入湖南大学化学化工学院任助理教授。至今，以第一作者和通讯作者身份发表SCI期刊论文15篇（其中中科院一区论文8篇，二区4篇）
研究领域
主要使用VASP软件对多相催化反应的密度泛函（DFT）计算。以催化剂理性筛选和设计（rational design）为研究目标，重点关注金属及氧化物、二维材料等物质的催化反应机理、催化活性、构效关系和活性调控等。同时也关注光催化反应材料的计算、光生电子和空穴的模拟等等
学术成果
第一作者与通讯作者成果如下
15.Zhang-Jun Bai, Xi-Ping Tan, Lang Chen*, Biao Hu, Yu-Xuan Tan, Yu Mao*, Sheng Shen, Jun-Kang Guo, Chak-Tong Au, Zhi-Wu Liang, Shuang-Feng Yin*, Efficient Photocatalytic Toluene Selective Oxidation over Cs3Bi1. 8Sb0. 2Br9 Nanosheets: Enhanced Charge Carriers Generation and C–H Bond Dissociation, Chemical Engineering Science, 2021, doi: 10.1016/j.ces.2021.116983
14.Baining Lin, Fan Xu, Yuxin Mei, Yuwei Liu, Yingping Zou, Zhi-Wu Liang, Yonghua Zhou*, Jiangyong Diao*, Yu Mao*, Hongyang Liu*,Phosphorus-doped h-Boron Nitride as an Efficient Metal-free Catalyst for Direct Dehydrogenation of Ethylbenzene,Catalysis Science & Technology, 2021, doi:10.1039/D1CY00903F
13.Xiao Yang;NieChang-Ming*; Xiao Xi-Lin; Liao Li-Fu; Yang Rong; Tao Xue-Bing; MaoYu*,Theoretical insights into chiral PMAADs coordinated with Am(III)/Eu(III) and separation selectivity enhanced by chiral-at Am(III)/Eu(III) complexes,J. Radioanal. Nucl. Chem. 2021, doi:10.1007/s10967-021-07653-8
12.Zhu Guoxing*; Li Xiaoyun; Liu Yuanjun; Mao Yu*; Liang Zhiwu; Ji Zhenyuan; Shen Xiaoping; Sun Jian; Cheng Xiaofang; Mao Junjie*, Scalable surface engineering of commercial metal foams for defect-rich hydroxides towards improved oxygen evolution, J. Mater. Chem. A 2020 8 (25) 12603-12612.
11.Tian Xin; Wang Shuai; Wang Zhou-jun; Wang Hongqing; Zhou Yonghua*; Zhong Hong*; Mao Yu*, Understanding the Promotion Effect of Mn on CuO/Al2O3 for Catalyzed HCl Oxidation to Cl2, ChemCatChem 2020 12 (12) 3240-3248.
10.Tian Xin; Wang Shuai; Wang Zhou-jun; Wang Hongqing; Zhou Yonghua*; Zhong Hong*; Mao Yu*, Sustainable utilization of chlorine via converting HCl to Cl2 over a robust copper catalyst, Mol. Catal. 2020 492 110977.
9.Mao Yu; Hu P*, Identification of the active sites and mechanism for partial methane oxidation to methanol over copper-exchanged CHA zeolites, Sci. China Chem. 2020 (63) 850–859.
8.Wu Xumeng#; Mao Yu# (co-first); Wang Dongyuan; Huang Qiuxiang; Yin Qiang; Zheng Ming; Hu Qinghua; Wang Hongqing*, Designing a colorimetric sensor containing nitrogen and oxygen atoms for uranyl ions identification: Chromatic mechanism, binding feature and on-site application, Sensors Actuat. B-Chem. 2020 307 127681.
7.Chen Jian-Fu#; Mao Yu# (co-first); Wang Hai-Feng*; Hu P.*, A Simple Method To Locate the Optimal Adsorption Energy for the Best Catalysts Directly, ACS Catal. 2019 9 (3) 2633-2638.
6.Mao Yu; Hu P*., Achieving accuracy and efficiency at the same time: a new kinetic Monte Carlo approach for complicated catalytic systems, Sci. China Chem. 2018 61 (12) 1479.
5.Mao Yu; Wang Hai‐Feng*; Hu P*, Theory and applications of surface micro‐kinetics in the rational design of catalysts using density functional theory calculations, Wires. Comput. Mol. Sci. 2017 e1321.
4.Mao Yu; Wang Ziyun; Wang Hai-Feng*; Hu P.*, Understanding Catalytic Reactions over Zeolites: A Density Functional Theory Study of Selective Catalytic Reduction of NOx by NH3 over Cu-SAPO-34, ACS Catal. 2016 (6) 7882-7891.
3.LambertChristopher#; Mao Yu# (co-first); Zheng, Y.-Z.; Tao, Xia; Hu, P.; Huang, Meilan*, Characterization of High-Performance Organic Dyes for Dye-Sensitized Solar Cell: A DFT/TDDFT Study. Can. J. Chem. 2016, 94 (12), 1109-1118.
2.Mao Yu; Chen Jian Fu; Wang Hai-Feng*; Hu P., Catalyst Screening: Refinement of the Origin of the Volcano Curve and its Implication in Heterogeneous Catalysis, Chin. J. Catal. 2015 36 (9) 1596-1605.
1.Mao Yu; Wang Hai-Feng*; Hu P*., Theoretical investigation of NH3-SCR processes over zeolites: A review, Int. J. Quantum Chem. 2015 115 618-630.