浙江大学化学系曹亮

tianjiao

曹亮博士，现任浙江大学化学系“百人计划”研究员、博士生导师。2010年本科毕业于中国科学技术大学，2016年博士毕业于美国约翰霍普金斯大学，随后继续在约翰霍普金斯大学任职博士后研究员。2021年3月加入浙江大学化学系，成立催化理论计算化学课题组，主要从事利用和开发新颖的计算方法以预测多相催化剂表面结构、建立界面模型，从而开展催化剂的理性设计，推动新能源技术的发展。


曹亮
博士 | “百人计划”研究员 | 博士生导师 | 研究员
单位 化学系
邮箱 liangcao@zju.edu.cn
地址 紫金港校区海纳苑5幢C427
研究方向
· 计算化学
· 能源催化
· 基于机器学习的多相催化剂理性设计


教育和工作经历
2016.11–2021.03  约翰霍普金斯大学，博士后
2010.09–2016.12  约翰霍普金斯大学，博士
2006.09–2010.07  中国科学技术大学，本科


科研经费
1. 国家自然科学基金青年科学基金项目，30万，2023.01-2025.12
2. 浙江大学“启真计划”，120万，2022.01-2023.12


研究方向
1. 多相催化剂的理性设计：基于第一性原理计算和机器学习等计算方法对多相催化剂的“构效关系”进行原子尺度的建模，从而进行催化剂的理性设计，推动新能源技术的发展。
2. 催化反应发生路径及其机理的研究: 在多相催化剂表面，生成一碳以及多碳 (C2和C2+) 能源分子的反应路径。
3. 能源催化材料性能的计算建模。


Google Scholar: https://scholar.google.com/citations?user=TdVpqUQAAAAJ&hl=en
ORCID: 0000-0003-4452-022X
(# equal contribution; * corresponding author)


After joining ZJU
(17)    Cao, Liang*; Mueller, Tim*. Catalytic Activity Maps for Alloy Nanoparticles. J. Am. Chem. Soc. 2023, in press (DOI: https://pubs.acs.org/doi/10.1021/jacs.2c13607).
(16)    Shen, Hao; Wang, Yunzhe.; Chakraborty, Tanmoy; Zhou, Guangye; Wang, Canhui; Fu, Xianbiao; Wang, Yuxuan; Zhang, Jinyi; Li, Chenyang; Xu, Fei; Cao, Liang; Mueller, Tim*; Wang, Chao*. Asymmetrical C–C Coupling for Electroreduction of CO on Bimetallic Cu–Pd Catalysts. ACS Catal. 2022, 5275-5283.
(15)    Cao, Liang*. Recent Advances in the Application of Machine-Learning Algorithms to Predict Adsorption Energies. Trends in Chemistry 2022, 4(4), 99-114.
(14)    Li, Chenyang; Nilson, Thomas; Cao, Liang; Mueller, Tim*. Predicting activation energies for vacancy-mediated diffusion in alloys using a transition-state cluster expansion. Physical Review Materials 2021, 5(1), 013803.
(13)    Wang, Yuxuan; Li, Chenyang; Fan, Zhanxi; Chen, Ye; Li, Xing; Cao, Liang; Wang, Canhui; Wang, Lei; Su, Dong; Zhang, Hua; Mueller, Tim*; Wang, Chao*. Undercoordinated Active Sites on 4H Gold Nanostructures for CO2 Reduction. Nano Lett. 2020, 20 (11), 8074–8080.
(12)    Cao, Liang; Niu Le; Mueller, Tim*. Computationally Generated Maps of Surface Structures and Catalytic Activities for Alloy Phase Diagrams. Proc. Natl. Acad. Sci. U. S. A. (PNAS) 2019, 116 (44), 22044-22051.
(11)    Wang, Yuxuan#; Cao, Liang#; Libretto, Nicole J; Li, Xing; Li, Chenyang; Wan, Yidong; He, Connie; Lee, Jinsung; Gregg, John; Zong, Han; Su, Dong; Miller, Jeffery T; Mueller, Tim*; Wang, Chao*. Ensemble Effect in Bimetallic Electrocatalysts for CO2 Reduction. J. Am. Chem. Soc. 2019, 141(42), 16635-16642. (# equal contribution)
(10)    Cao, Liang#; Zhao, Zipeng#; Liu, Zeyan#; Gao, WenPei; Dai, Sheng; Xue, Wang; Duan, Xiangfeng; Pan, Xiaoqing; Mueller, Tim*; Huang, Yu*. Significantly Enhanced Stability of PtNi-based ORR Catalysts by Tuning Surface Elemental Distribution. Matter 2019, 1   (6), 1567–1580. (# equal contribution) (Also see preview by Liming Dai, et al. in Matter 2019, 1, 1447-1449)
(9)    Cao, Liang; Li, Chenyang; Mueller, Tim*. The Use of Cluster Expansions to Predict the Structures and Properties of Surfaces and Nanostructured Materials. J. Chem. Inf. Model. 2018, 58(12), 2401–2413. Invited Article. (Materials Informatics special issue, Featured on Cover)
(8)    Li, Chenyang#; Raciti, David#; Pu, TianCheng; Cao, Liang; He, Connie; Wang, Chao*; Mueller, Tim*. Improved Prediction of Nanoalloy Structures by the Explicit Inclusion of Adsorbates in Cluster Expansions. J. Phys. Chem. C 2018, 122 (31), 18040-18047.
(7)    Jia, Qingying*,#; Zhao, Zipeng#; Cao, Liang#; Li, Jingkun; Ghoshal, Shraboni; Davies, Veronica; Stavitski, Eli; Attenkofer, Klaus; Liu, Zeyan; Li, Mufan; Duan, Xiangfeng; Mukerjee, Sanjeev; Mueller, Tim*; Huang, Yu*. Roles of Mo Surface Dopants in Enhancing the ORR Performance of Octahedral PtNi Nanoparticles. Nano Lett. 2018, 18 (2), 798-804. (# equal contribution)
(6)    Cao, Liang#; Raciti, David#; Li, Chenyang; Livi, Kenneth; Rottmann, Paul; Hemker, Keven; Mueller, Tim*; Wang, Chao*. Mechanistic Insights for Low-Overpotential Electroreduction of CO2 to CO on Copper Nanowires. ACS Catal. 2017, 7(12), 8578–8587. (# equal contribution)
(5) Raciti, David#; Cao, Liang#; Rottmann, Paul; Tang, Xin; Li, Chenyang; Hicks, Zachary; Livi, Kenneth; Bowen, Kit; Hemker, Keven; Mueller, Tim*; Wang, Chao*. Low-Overpotential Electroreduction of Carbon Monoxide Using Copper Nanowires. ACS Catal. 2017, 7(7), 4467-4472. (# equal contribution)
(4)  Cao, Liang; Mueller, Tim*. Theoretical Insights into the Effects of Oxidation and Mo-Doping on the Structure and Stability of Pt-Ni Nanoparticles. Nano Lett. 2016, 16 (12), 7748-7754.
(3) Cao, Liang; Mueller, Tim*. Rational Design of Pt3Ni Surface Structures for the Oxygen Reduction Reaction. J. Phys. Chem. C 2015, 119 (31), 17735-17747.
JPCC-highlights-png.png
(2) Huang, Xiaoqing#; Zhao, Zipeng#; Cao, Liang; Chen, Yu; Zhu, Enbo; Lin, Zhaoyang; Li, Mufan; Yan, Aiming; Zettl, Alex; Wang, Y. Morris; Duan, Xiangfeng; Mueller, Tim*; Huang, Yu*. High-Performance Transition Metal−Doped Pt3Ni Octahedra for Oxygen Reduction Reaction. Science 2015, 348(6240), 1230−1234.
(1)  Dong, Liang#; Liu, Yun#; Lu, Yang; Zhang, Li; Man, Na; Cao, Liang; Ma, Kai; An, Duo; Lin, Jun; Xu, Yun-Jun, Xu, Wei-Ping; Wu, Wen-Bin; Yu, Shu-Hong*; Wen, Long-Ping*. Tuning Magnetic Property and Autophagic Response for Self-Assembled Ni–Co Alloy Nanocrystals. Adv. Funct. Mater. 2013, 23(47), 5930-5940.