Yu-Yang Zhang

Associate Professor,  School of Physical Sciences

Email: zhangyuyang [at]

Click to see my Group's webpage or Google Scholar

Postdoc position opening


Research Areas

My research interest is to use quantum-mechanical calculations based on density functional theory (DFT) to understand the fundamental physics in emerging quantum materials for future nano-electronics, quantum information, and energy-related applications. With such understandings, I design novel quantum materials, understand the structure-properties correlations, and propose methods to achieve property modulations for practical applications. My previous and current research projects include first-principle calculations of solid-state materials ranging from crystals, surfaces, interfaces, to various nanostructures.

In particular, I study 

(1) Physics and chemistry at surfaces and interfaces: the self-assembly of molecules on metallic surfaces, electronic and dynamic properties of surface adsorption, heterogeneous catalysis.

(2) Emergent quantum phenomena: low-dimensional topological insulators, ferromagnetic Weyl semimetal, topological superconductors.

(3) Machine learning in condensed matter physics: fast processing of scanning probe microscopy images and machine learning for energy-related materials.


2001 -- 2005 University of Science and Technology of China. B.S
2005 -- 2011 Institute of Physics, Chinese Academy of Sciences. Ph.D


2016/12 -- now,       University of Chinese Academy of Sciences, Associate Professor
2013/06 -- 2016/12  Vanderbilt University, Postdoc (with Prof. Sokrates T. Pantelides)
2013/06 -- 2015/01  Oak Ridge National Laboratory, Visiting Scientist.
2011/06 -- 2013/06  Rensselaer Polytechic Institute, Postdoc (with Prof. Shengbai Zhang)

Selective Publications

[1]       Shiyu Zhu#, Lingyuan Kong#, Lu Cao#, Hui Chen#, Michał Papaj, Shixuan Du, Yuqing Xing, Wenyao Liu, Dongfei Wang, Chengmin Shen, Fazhi Yang, John Schneeloch, Ruidan Zhong, Genda Gu, Liang Fu, Yu-Yang Zhang*, Hong Ding*, and Hong-Jun Gao*. "Nearly quantized conductance plateau of vortex zero mode in an iron-based superconductor". Science 367 (6474), 189 (2020).

[2]       Hui Chen#, Xian-Li Zhang#, Yu-Yang Zhang#, Dongfei Wang, De-Liang Bao, Yande Que, Wende Xiao, Shixuan Du*, Min Ouyang, Sokrates T. Pantelides, and Hong-Jun Gao*. "Atomically precise, custom-design origami graphene nanostructures". Science 365 (6457), 1036 (2019).

[3]       Wu Zhou#*, Yu-Yang Zhang#, Jianyi Chen, Dongdong Li, Jiadong Zhou, Zheng Liu, Matthew F. Chisholm, Sokrates T. Pantelides, and Kian Ping Loh. "Dislocation-driven growth of two-dimensional lateral quantum-well superlattices". Sci. Adv. 4 (3), eaap9096 (2018).

[4]       X. Lin#, J. C. Lu#, Y. Shao#, Y. Y. Zhang#, X. Wu, J. Pan, L. Gao, S. Y. Zhu, K. Qian, Y. F. Zhang, D. L. Bao, L. F. Li, Y. Q. Wang, Z. L. Liu, J. Sun, T. Lei, C. Liu, J. Wang, K. Ibrahim, D. Leonard, W. Zhou, H. Guo, Y. L. Wang*, S. X. Du*, S. T. Pantelides, and H. -J. Gao*. "Intrinsically patterned two-dimensional materials for selective adsorption of molecules and nanoclusters". Nat. Mater. 16, 717 (2017).

[5]       Liang Zhu#, Xin Jin#, Yu-Yang Zhang*, Shixuan Du, Lei Liu*, Tijana Rajh, Zhi Xu, Wenlong Wang, Xuedong Bai*, Jianguo Wen*, and Lifen Wang*. "Visualizing Anisotropic Oxygen Diffusion in Ceria under Activated Conditions". Phys. Rev. Lett. 124 (5), 056002 (2020).

[6]       Yu-Yang Zhang, Shi-Xuan Du, and Hong-Jun Gao. "The construction and structure-property manipulation of "small-molecule machines"". Chin. Sci. Bull. 63 (14), 1255, (2018). 张余洋, 杜世萱, 高鸿钧. “小分子机器”量子结构的构造及其物性. 科学通报, 63, 1256-1264 (2018) [invited review]

[7]       Yixuan Gao, Yu-Yang Zhang*, and Shixuan Du*. "Recovery of the Dirac states of graphene by intercalating two-dimensional traditional semiconductors". J. Phys. Condens. Matter 31 (19), 194001 (2019).

[8]       Hui Guo, Xueyan Wang, Hongliang Lu, Lihong Bao*, Hao Peng, Kai Qian, Jiajun Ma, Geng Li, Li Huang, Xiao Lin, Yu-Yang Zhang*, Shixuan Du, Sokrates T. Pantelides, and Hong-Jun Gao. "Centimeter-scale, single-crystalline, AB-stacked bilayer graphene on insulating substrates". 2D Mater. 6 (4), 045044 (2019).

[9]       Kuibo Yin#, Yu-Yang Zhang#*, Yilong Zhou#, Litao Sun*, Matthew F. Chisholm, Sokrates T. Pantelides, and Wu Zhou*. "Unsupported single-atom-thick copper oxide monolayers". 2D Mater. 4 (4), 011001 (2017).

[10]     Chuang Gao#, Lei Tao#, Yu-Yang Zhang*, Shixuan Du, Sokrates T. Pantelides, Juan Carlos Idrobo, Wu Zhou*, and Hong-Jun Gao. "Spectroscopic signatures of edge states in hexagonal boron nitride". Nano Res. 12 (7), 1663 (2019).

[11]      Jindong Ren, Eugene Larkin, Colm Delaney, Yang Song, Xin Jin, Saeed Amirjalayer, Anne Bakker, Shixuan Du, Hongying Gao, Yu-Yang Zhang*, Sylvia M. Draper*, and Harald Fuchs*. "Chemistry of 4-[(4-bromophenyl)ethynyl]pyridine at metal surfaces studied by STM". Chem. Commun. 54 (67), 9305 (2018).

[12]     Peng Gao*, Liping Wang, Yu-Yang Zhang*, Yuan Huang, Lei Liao, Peter Sutter, Kaihui Liu, Dapeng Yu, and En-Ge Wang. "High-resolution tracking asymmetric lithium insertion and extraction and local structure ordering in SnS2". Nano Lett. 16, 5582 (2016).

[13]     Yu Yang Zhang, Rohan Mishra, Timothy J. Pennycook, Albina Y. Borisevich, Stephen J. Pennycook, and Sokrates T. Pantelides. "Oxygen disorder, a way to accommodate large epitaxial strains in oxides". Adv. Mater. Interf. 2, 1500344 (2015).

[14]     Wende Xiao, Karl-Heinz Ernst, Krisztian Palotas, Yuyang Zhang, Emilie Bruyer, Lingqing Peng, Thomas Greber, Werner A. Hofer, Lawrence T. Scott, and Roman Fasel. "Microscopic origin of chiral shape induction in achiral crystals". Nat. Chem. 8, 326 (2016).

[15]     Kai Yang, Hui Chen, Thomas Pope, Yibin Hu, Liwei Liu, Dongfei Wang, Lei Tao, Wende Xiao, Xiangmin Fei, Yu-Yang Zhang, Hong-Gang Luo, Shixuan Du, Tao Xiang, Werner A. Hofer, and Hong-Jun Gao. "Tunable giant magnetoresistance in a single-molecule junction". Nat. Commun. 10 (1), 3599 (2019).

[16]     Shi-Ze Yang, Weiwei Sun, Yu-Yang Zhang, Yongji Gong, Mark P. Oxley, Andrew R. Lupini, Pulickel M. Ajayan, Matthew F. Chisholm, Sokrates T. Pantelides, and Wu Zhou. "Direct cation exchange in monolayer MoS2 via recombination-enhanced migration". Phys. Rev. Lett. 122 (10), 106101 (2019).

[17]     Shi-Ze Yang, Yongji Gong, Priyanka Manchanda, Yu-Yang Zhang, Gonglan Ye, Shuangming Chen, Li Song, Sokrates T. Pantelides, Pulickel M. Ajayan, Matthew F. Chisholm, and Wu Zhou. "Rhenium-doped and stabilized MoS2 atomic layers with basal-plane catalytic activity". Adv. Mater. 30 (51), 1803477 (2018).

[18]     Hui Chen, De-Liang Bao, Dongfei Wang, Yande Que, Wende Xiao, Guojian Qian, Hui Guo, Jiatao Sun, Yu-Yang Zhang, Shixuan Du, Sokrates T. Pantelides, and Hong-Jun Gao. "Fabrication of millimeter-scale, single-crystal one-third-hydrogenated graphene with anisotropic electronic properties". Adv. Mater. 30 (32), 1801838 (2018).

[19]     Deyi Fu, Xiaoxu Zhao, Yu-Yang Zhang, Linjun Li, Hai Xu, A. Rang Jang, Seong In Yoon, Peng Song, Sock Mui Poh, Tianhua Ren, Zijing Ding, Wei Fu, Tae Joo Shin, Hyeon Suk Shin, Sokrates T. Pantelides, Wu Zhou, and Kian Ping Loh. "Molecular beam epitaxy of highly crystalline monolayer molybdenum disulfide on hexagonal boron nitride". J. Am. Chem. Soc. 139, 9392 (2017).

[20]     Wu Zhou, Kuibo Yin, Canhui Wang, Yuyang Zhang, Tao Xu, Albina Borisevich, Litao Sun, Juan Carlos Idrobo, Matthew F. Chisholm, Sokrates T. Pantelides, Robert F. Klie, and Andrew R. Lupini. "The observation of square ice in graphene questioned". Nature 528, E1 (2015).