个人简介
Education:
2008-2014, PhD, Materials Science and Nano Engineering, Rice University, USA
2004-2008, BS, Materials Science, University of Science and Technology of China (USTC)
Employment:
08/2017 – present, Assistant Professor, UT Austin
08/2015 – 08/2017, Resnick Prize Postdoc Fellow, California Institute of Technology
09/2014 – 08/2015, Postdoc, National Renewable Energy Laboratory, Golden, CO, USA
06/2013 – 08/2013, Summer student, Lawrence Livermore National Laboratory
研究领域
We develop and apply atomistic simulation methods, especially quantum mechanical (first-principles) methods, to understand, design and discover materials for electronics and energy applications.
On the chemistry side, we study the electrochemical reactions for energy conversion and storage, such as water splitting, O2/CO2/N2 reduction, batteries and supercapacitors.
On the physics side, we study the electronic transport. By investigating the electron-phonon, electron-electron, and electron-defect interactions, we compute and analyze the electronic transport properties (e.g. mobility, conductivity, saturation velocity). These studies can help improve electronic and optoelectronic devices.
We have been studying 2D materials extensively.
We also have experience and interest in other topics, such as crystal growth, defects and thermo-catalysis, and are open to collaborations and new opportunities.
近期论文
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Xunhua Zhao, Zachary Levell, Saerom Yu, Yuanyue Liu*“Atomistic Mechanism of Two-Dimensional Electrocatalysts from First Principles”Chem. Rev., 2022, 10.1021/acs.chemrev.1c00981, Publication Date: May 13, 2022
Xiao Zhang, Xunhua Zhao, Peng Zhu, Zachary Adler, Zhen-Yu Wu, Yuanyue Liu*, Haotian Wang*;“Electrochemical oxygen reduction to hydrogen peroxide at practical rates in strong acidic media”;Nature Communications, 2022, 13, 2880; Published: 24 May 2022
Lei Fan, Xiaowan Bai, Chuan Xia, Xiao Zhang, Xunhua Zhao, Yang Xia, Zhen-Yu Wu, Yingying Lu*, Yuanyue Liu* & Haotian Wang*;“CO2/carbonate-mediated electrochemical water oxidation to hydrogen peroxide”;Nature Communications, 2022, 13, 2668; Published: 13 May 2022
Jun Chen, Jiang Zhou, Wenshuo Xu, Yi Wen, Yuanyue Liu*, and Jamie H. Warner*“Atomic-Level Dynamics of Point Vacancies and the Induced Stretched Defects in 2D Monolayer PtSe2”;Nano Lett. 2022, 22, 8, 3289–3297; Publication Date: April 7, 2022
Nan Wang, Xunhua Zhao, Rui Zhang, Saerom Yu, Zachary H. Levell, Chunyang Wang, Shaobo Ma, Peichao Zou, Lili Han, Jiayi Qin, Lu Ma, Yuanyue Liu*, and Huolin L. Xin* “Highly Selective Oxygen Reduction to Hydrogen Peroxide on a Carbon-Supported Single-Atom Pd Electrocatalyst”;ACS Catal. 2022, 12, 7, 4156–4164; Publication Date: March 22, 2022
Jiaqi Wang, Zhou Jiang, Guiming Peng, Eli Hoenig, Gangbin Yan, Mingzhan Wang, Yuanyue Liu*, Xiwen Du*, Chong Liu*;Surface Valence State Effect of MoO2+x on Electrochemical Nitrogen Reduction Advanced Science, 2022, 9, 2104857; Publication Date: April 25, 2022
Tao Shen, Kaike Yang, Baoying Dou, Su-Huai Wei, Yuanyue Liu, and Hui-Xiong Deng;Clarification of the relative magnitude of exciton binding energies in ZnO and SnO2;Appl. Phys. Lett. 2022, 120, 042105; Publication Date: 28 January 2022
Xunhua Zhao, Yuanyue Liu*“Origin of Selective Production of Hydrogen Peroxide by Electrochemical Oxygen Reduction”J. Am. Chem. Soc. 2021, DOI: 10.1021/jacs.1c02186, Publication Date: June 16, 2021
Yang Xia, Xunhua Zhao, Chuan Xia, Zhen-Yu Wu, Peng Zhu, Jung Yoon (Timothy) Kim, Xiaowan Bai, Guanhui Gao, Yongfeng Hu, Jun Zhong, Yuanyue Liu*, Haotian Wang*“Highly active and selective oxygen reduction to H2O2 on boron-doped carbon for high production rates”Nat. Commun., 2021, DOI: 10.1038/s41467-021-24329-9, Publication Date: 07/09/2021
Sanjay Nanda, Amruth Bhargav, Zhou Jiang, Xunhua Zhao, Yuanyue Liu, Arumugam Manthiram,“Implications of in situ chalcogen substitutions in polysulfides for rechargeable batteries”Energy Environ. Sci., 2021, DOI: 10.1039/D1EE01113H, Publication Date: 08/11/2021
Zhao Li, Qi Wang, Xiaowan Bai, Maoyu Wang, Zhenzhong Yang, Yingge Du, George E. Sterbinsky, Duojie Wu, Zhenzhen Yang, Huajun Tian, Fuping Pan, Meng Gu,* Yuanyue Liu,* Zhenxing Feng,* Yang Yang*“Doping-modulated strain control of bifunctional electrocatalysis for rechargeable zinc–air batteries”Energy Environ. Sci., 2021, DOI: 10.1039/D1EE01271A, Publication Date: 07/27/2021
Chenmu Zhang, Long Cheng, Yuanyue Liu*“Role of flexural phonons in carrier mobility of two-dimensional semiconductors: free standing vs on substrate”J. Phys.: Condens. Matter, 2021, DOI: 10.1088/1361-648X/abe8fa, Publication Date: 12 May 2021 (Invited paper for “Emerging Leaders 2020)
Long Cheng, Chenmu Zhang, Yuanyue Liu*“Intrinsic charge carrier mobility of 2D semiconductors”Computational Materials Science, 2021, DOI: 10.1016/j.commatsci.2021.110468, Publication Date: 12 April 2021 (Invited paper for “2020 Rising Stars in Computational Materials Science”)
Zhijuan Zhao, Tianyu Hou, Nannan Wu, Shuping Jiao, Ke Zhou, Jun Yin, Ji Won Suk, Xu Cui, Mingfei Zhang, Shaopeng Li, Yan Qu, Weiguang Xie, Xi-Bo Li, Chuanxi Zhao, Yong Fu, Rong-Dun Hong, Shengshi Guo, Dingqu Lin, Weiwei Cai, Wenjie Mai, Zhengtang Luo, Yongtao Tian, Yun Lai, Yuanyue Liu, Luigi Colombo, Yufeng Hao“Polycrystalline Few-Layer Graphene as a Durable Anticorrosion Film for Copper”Nano Lett. 2021, DOI: 10.1021/acs.nanolett.0c04724, Publication Date: January 7, 2021
Long Cheng, Chenmu Zhang, Yuanyue Liu*“Why two-dimensional semiconductors generally have low electron mobility”Phys. Rev. Lett., 2020, DOI: 10.1103/PhysRevLett.125.177701
Xunhua Zhao, Yuanyue Liu*“Unveiling the Active Structure of Single Nickel Atom Catalysis: Critical Roles of Charge Capacity and Hydrogen Bonding”J. Am. Chem. Soc. 2020, DOI: 10.1021/jacs.9b13872
Chenmu Zhang, Long Cheng, Yuanyue Liu*“Understanding high-field electron transport properties and strain effects of monolayer transition metal dichalcogenides”Phys. Rev. B, 2020, DOI: 10.1103/PhysRevB.102.115405
Qiurong Shi, Yanghua He, Xiaowan Bai, Maoyu Wang, David A. Cullen, Marcos Lucero, Xunhua Zhao, Karren L More, Hua Zhou, Zhenxing Feng*, Yuanyue Liu*, Gang Wu*“Methanol Tolerance of Atomically Dispersed Single Metal Site Catalysts: Mechanistic Understanding and High-performance Direct Methanol Fuel Cells”Energy Environ. Sci., 2020, DOI: 10.1039/D0EE01968B
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