Google Scholar citations: > 21,000. * denote corresponding author
118. Rongjing Guo, Kwangrae Kim, Zhongcan Xiao, Yuanyue Liu*
“Accurate Ab-initio Method for Charged Defect Scattering”
Phys. Rev. Lett. , 2025, DOI: 10.1103/42pc-t2bx, Publication Date: 18 September, 2025
117. Ruoyu Wang, Shaoheng Fang, Qixing Huang, Yuanyue Liu*
“Constant-Potential Machine Learning Force Field for the Electrochemical Interface”
Journal of Chemical Theory and Computation, 2025, DOI: 10.1021/acs.jctc.5c00784, Publication Date: July 27, 2025
116. “Electro-activated indigos intensify ampere-level CO2 reduction to CO on silver catalysts”;
Zhengyuan Li, Xing Li, Ruoyu Wang, Astrid Campos Mata, Carter S. Gerke, Shuting Xiang, Anmol Mathur, Lingyu Zhang, Dian-Zhao Lin, Tianchen Li, Krish N. Jayarapu, Andong Liu, Lavanya Gupta, Anatoly I. Frenkel, V. Sara Thoi, Pulickel M. Ajayan, Soumyabrata Roy, Yuanyue Liu & Yayuan Liu;
Nature Communications, 2025, DOI: 10.1038/s41467-025-58593-w, Publication Date: 03 April 2025
115. Zachary Levell, Saerom Yu, Ruoyu Wang, Yuanyue Liu*
“What is the “Other” Site in M-N-C?”
J. Am. Chem. Soc., 2024, DOI:10.1021/jacs.4c12479, Publication Date: December 21, 2024
114. Chenmu Zhang, Yuanyue Liu*
“Electron-Surface Scattering from First Principles”
ACS Nano, 2024, DOI: 10.1021/acsnano.4c07698, Publication Date: September 26, 2024
113. Yuyang Wang, Peng Zhu, Ruoyu Wang, Kevin C. Matthews, Minghao Xie, Maoyu Wang, Chang Qiu, Yijin Liu, Hua Zhou, Jamie H. Warner, Yuanyue Liu, Haotian Wang*, Guihua Yu*
“Fluorine-Tuned Carbon-Based Nickel Single-Atom Catalysts for Scalable and Highly Efficient CO2 Electrocatalytic Reduction”
ACS Nano, 2024, DOI: 10.1021/acsnano.4c06923, Publication Date: September 19, 2024
112. Tae-Ung Wi, Yongchao Xie, Zachary H. Levell, Danyi Feng, Jung Yoon ‘Timothy’ Kim, Peng Zhu, Ahmad Elgazzar, Tae Hwa Jeon, Mohsen Shakouri, Shaoyun Hao, Zhiwei Fang, Chang Qiu, Hyun-Wook Lee, Andrea Hicks,* Yuanyue Liu,* Chong Liu,* Haotian Wang*
“Upgrading carbon monoxide to bioplastics via integrated electrochemical reduction and biosynthesis”
Nature Synthesis, 2024, DOI: 10.1038/s44160-024-00621-6, Publication Date: 28 August 2024
111. Sishuang Tang, Minghao Xie, Saerom Yu, Xun Zhan, Ruilin Wei, Maoyu Wang, Weixin Guan, Bowen Zhang, Yuyang Wang, Hua Zhou, Gengfeng Zheng, Yuanyue Liu, Jamie H. Warner & Guihua Yu*
“General synthesis of high-entropy single-atom nanocages for electrosynthesis of ammonia from nitrate”
Nature Communications, 2024, DOI: 10.1038/s41467-024-51112-3, Publication Date: 13 August 2024
110. Chenmu Zhang, Zhongcan Xiao, Rachel Paddock, Michael Cullinan*, Mehran Tehrani*, Yuanyue Liu*
“Effects of Graphene Doping on the Electrical Conductivity of Copper”
Advanced Functional Materials, 2024, DOI: 10.1002/adfm.202407569, Publication Date: 08/12/2024
109. Zachary Levell, Jiabo Le, Ruoyu Wang, Saerom Yu, Sudheesh Ethirajan, Rachita Rana, Ambarish Kulkarni*, Deyu Lu*, Joaquin Resasco*, Jun Cheng*, Yuanyue Liu*;
“Emerging Atomistic Modeling Methods for Heterogeneous Electrocatalysis”;
Chem. Rev., 2024, DOI: 10.1021/acs.chemrev.3c00735, Publication Date: July 11, 2024 (featured as journal cover)
108. Zhongcan Xiao, Rongjing Guo, Chenmu Zhang, and Yuanyue Liu*
“Point Defect Limited Carrier Mobility in 2D Transition Metal Dichalcogenides”
ACS Nano 2024, DOI: 10.1021/acsnano.4c01033, Publication Date: March 6, 2024
107. Xing Li, Xunhua Zhao, Lingyu Zhang, Anmol Mathur, Yu Xu, Zhiwei Fang, Luo Gu, Yuanyue Liu & Yayuan Liu
“Redox-tunable isoindigos for electrochemically mediated carbon capture”
Nature Communications, 2024, DOI: 10.1038/s41467-024-45410-z, Publication Date: February 08 2024
106. Soojin Jeong, Chuanliang Huang, Zachary Levell, Rebecca X. Skalla, Wei Hong, Nicole J. Escorcia, Yaroslav Losovyj, Baixu Zhu, Alex N. Butrum-Griffith, Yang Liu, Christina W. Li, Danielle Reifsnyder Hickey, Yuanyue Liu*, Xingchen Ye*;
“Facet-Defined Dilute Metal Alloy Nanorods for Efficient Electroreduction of CO2 to n-Propanol”
J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.3c11013, Publication Date: 02/06/2024
105. Zachary Levell, Yuanyue Liu*;
“Activation Energies of Heterogeneous Electrocatalysis: A Theoretical Perspective”
ACS Mater. Au 2023, DOI: 10.1021/acsmaterialsau.3c00071, Publication Date: December 19, 2023 (invited paper for ACS Materials Au Rising Star issue)
104. Pawan Kumar, Jiazheng Chen, Andrew C. Meng, Wei-Chang D. Yang, Surendra B. Anantharaman, James P. Horwath, Juan C. Idrobo, Himani Mishra, Yuanyue Liu, Albert V. Davydov, Eric A. Stach*, Deep Jariwala*
“Observation of Sub-10 nm Transition Metal Dichalcogenide Nanocrystals in Rapidly Heated van der Waals Heterostructures”
ACS Applied Materials & Interfaces, DOI: 10.1021/acsami.3c13471, Publication Date: December 13, 2023
103. Saerom Yu, Zachary Levell, Zhou Jiang, Xunhua Zhao, and Yuanyue Liu*;
“What Is the Rate-Limiting Step of Oxygen Reduction Reaction on Fe–N–C Catalysts?”
J. Am. Chem. Soc. 2023, DOI: 10.1021/jacs.3c09193, Publication Date: 11/13/2023
102. Rong Xia, Ruoyu Wang, Bjorn Hasa, Ahryeon Lee, Yuanyue Liu*, Xinbin Ma*, Feng Jiao*;
“Electrosynthesis of ethylene glycol from C1 feedstocks in a flow electrolyzer”;
Nature Communications, 2023, 14, 4570, DOI: 10.1038/s41467-023-40296-9, Publication Date: 07/29/2023;
101. Yang Liu, Zhou Jiang, Chuanliang Huang, Soojin Jeong, Amanda L. Coughlin, Shixiong Zhang, Yuanyue Liu*, Xingchen Ye*;
“Ligand-Controlled Electroreduction of CO2 to Formate over Facet-Defined Bimetallic Sulfide Nanoplates”;
Nano Lett., 2023, DOI: 10.1021/acs.nanolett.3c00703, Publication Date: 06/20/2023
100. Chenmu Zhang, Ruoyu Wang, Himani Mishra, and Yuanyue Liu*;
“Two-dimensional semiconductors with high intrinsic carrier mobility at room temperature”;
Phys. Rev. Lett., 2023, DOI: 10.1103/PhysRevLett.130.087001, Published: 02/22/2023
99. Xing Li, Xunhua Zhao, Yuanyue Liu*, T. Alan Hatton*, Yayuan Liu*;
“Redox-Tunable Lewis Bases for Electrochemical Carbon Dioxide Capture”;
Nature Energy, 2022, DOI: 10.1038/s41560-022-01137-z, Publication Date: 13 October 2022
98. Chenmu Zhang, Yuanyue Liu*
“Phonon-limited transport of two-dimensional semiconductors: Quadrupole scattering and free carrier screening”
Phys. Rev. B., 2022, DOI: 10.1103/PhysRevB.106.115423, Publication Date: 19 September 2022
97. Yu Lei, Tianyi Zhang, Yu-Chuan Lin, Tomotaroh Granzier-Nakajima, George Bepete, Dorota A. Kowalczyk, Zhong Lin, Da Zhou, Thomas F. Schranghamer, Akhil Dodda, Amritanand Sebastian, Yifeng Chen, Yuanyue Liu, Geoffrey Pourtois, Thomas J. Kempa, Bruno Schuler, Mark T. Edmonds, Su Ying Quek, Ursula Wurstbauer, Stephen M. Wu, Nicholas R. Glavin, Saptarshi Das, Saroj Prasad Dash, Joan M. Redwing, Joshua A. Robinson*, and Mauricio Terrones*
“Graphene and Beyond: Recent Advances in Two-Dimensional Materials Synthesis, Properties, and Devices”
ACS Nanosci. Au 2022, DOI: 10.1021/jacs.2c07178, Publication Date: September 16, 2022
96. Xiaowan Bai, Xunhua Zhao, Yehui Zhang, Chongyi Ling, Yipeng Zhou, Jinlan Wang,* Yuanyue Liu*
“Dynamic Stability of Copper Single-Atom Catalysts under Working Conditions”
J. Am. Chem. Soc. 2022, DOI: 10.1021/jacs.2c07178, Publication Date: September 11, 2022
95. 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, DOI: 10.1038/s41467-022-30337-0, Published: 24 May 2022
94. Xunhua Zhao, Zachary Levell, Saerom Yu, Yuanyue Liu*;
“Atomistic Mechanism of Two-Dimensional Electrocatalysts from First Principles”;
Chem. Rev., DOI: 10.1021/acs.chemrev.1c00981, Publication Date: May 13, 2022
93. 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, DOI: 10.1038/s41467-022-30251-5, Published: 13 May 2022
92. 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, DOI: 10.1002/advs.202104857, Publication Date: April 25, 2022
91. Jun Chen, Zhou Jiang, 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, DOI: 10.1021/acs.nanolett.1c04275, Publication Date: April 7, 2022
90. 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, DOI: 10.1021/acscatal.1c05633, Publication Date: March 22, 2022
89. 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, DOI: 10.1063/5.0079621, Publication Date: 28 January 2022
88. “The Restructuring-Induced CoOx Catalyst for Electrochemical Water Splitting”
Maoyu Wang, Qingbo Wa, Xiaowan Bai, Zuyun He, Widitha S. Samarakoon, Qing Ma, Yingge Du, Yan Chen, Hua Zhou*, Yuanyue Liu*, Xinwei Wang*, Zhenxing Feng*
JACS Au, 2021, DOI: 10.1021/jacsau.1c00346, Publication Date: November 2, 2021
87. 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: August 11, 2021
86. 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: July 27, 2021
85. 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: July 9, 2021
84. Evgeni S. Penev, Yuanyue Liu, Tariq Altalhi, Alex Kutana, Boris I. Yakobson
“Stable Low-Dimensional Boron Chalcogenides from Planar Structural Motifs”
J. Phys. Chem. A, 2021, DOI: 10.1021/acs.jpca.1c02865 , Publication Date: July 9, 2021
83. 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
82. 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)
81. 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”)
80. 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
79. Zhipeng Yu, Junyuan Xu, Yifan Li, Bin Wei, Nan Zhang, Yue Li, Oleksandr Bondarchuk, Hongwei Miao, Ana Araujo, Zhongchang Wang, Joaquim Faria, Yuanyue Liu*, Lifeng Liu*
“Ultrafine oxygen-defective iridium oxide nanoclusters for efficient and durable water oxidation at high current densities in acidic media”
J. Mater. Chem. A, 2020, DOI: 10.1039/D0TA07093A, Publication Date: November 2, 2020
78. 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, Publication Date: October 19, 2020, (highlighted as “Editor’s Suggestion”)
77. 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 , Publication Date: September 8, 2020
76. Yue Zhu, Yumin Qian, Zhengyu Ju, Yujin Ji, Yu Yan, Yuanyue Liu, Guihua Yu
“Understanding Charge Storage in Hydrated Layered Solids MOPO4 (M = V, Nb) with Tunable Interlayer Chemistry”
ACS Nano, 2020, DOI: 10.1021/acsnano.0c06193, Publication Date: August 28, 2020
75. 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 , ; Publication Date: 17 Aug 2020
74. Yang Yang, Yumin Qian, Haijing Li, Zhenhua Zhang, Yuewen Mu, David Do, Bo Zhou, Jing Dong, Wenjun Yan, Yong Qin, Li Fang, Renfei Feng, Jigang Zhou, Peng Zhang, Juncai Dong, Guihua Yu, Yuanyue Liu, Xianming Zhang, Xiujun Fan
“O-coordinated W-Mo dual-atom catalyst for pH-universal electrocatalytic hydrogen evolution”
Sci. Adv., 2020, DOI: 10.1126/sciadv.aba6586 , Publication Date: 05 Jun 2020
73. Xiaobo Zheng, Peixin Cui, Yumin Qian, Guoqiang Zhao, Xusheng Zheng, Xun Xu, Zhenxiang Cheng, Yuanyue Liu, Shi Xue Dou, Wenping Sun
“Multifunctional Active-Center-Transferable Platinum/Lithium Cobalt Oxide Heterostructured Electrocatalysts towards Superior Water Splitting”
Angew. Chem. Int. Ed., 2020, DOI: 10.1002/anie.202005241, Publication Date: 02 June 2020
72. 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., 142, 5773-5777, DOI: 10.1021/jacs.9b13872 March 2020
71. Guoqing Li, Zehua Chen, Yifan Li, Du Zhang, Weitao Yang, Yuanyue Liu, Linyou Cao
“Engineering Substrate Interaction to Improve Hydrogen Evolution Catalysis of Monolayer MoS2 Films beyond Pt”
ACS Nano, 14, 1707-1714,DOI: 10.1021/acsnano.9b07324 , January 2020
70. Can Tang, Jianjian Shi, Xiaowan Bai, Anqi Hu, Ningning Xuan, Yawei Yue, Tong Ye, Bing Liu, Pengxiang Li, Peiyuan Zhuang, Jianfeng Shen, Yuanyue Liu*, Zhengzong Sun*
“CO2 Reduction on Copper’s Twin Boundary”
ACS Catalysis, 10, 2026-2032, DOI 10.1021/acscatal.9b03814 , January 2020
69. Yuanlin Liu, Nana Wang, Xunhua Zhao, Zhiwei Fang, Xiao Zhang, Yuanyue Liu, Zhongchao Bai, Shixue Dou, Guihua Yu
“Hierarchical nanoarchitectured hybrid electrodes based on ultrathin MoSe2 nanosheets on 3D ordered macroporous carbon frameworks for high-performance sodium-ion batteries”
J. Mater. Chem. A, 8, 2843-2850,DOI 10.1039/C9TA13377A , January 2020
68. Yumin Qian, Yuanyue Liu, Yu Zhao, Xiaohong Zhang, Guihua Yu
“Single vs double atom catalyst for N2 activation in nitrogen reduction reaction: A DFT perspective”
EcoMat, 2, e12014 DOI: 10.1002/eom2.12014 , January 2020
67. Bharath Bangalore Rajeeva, Pranaw Kunal, Pavana Siddhartha Kollipara, Palash V. Acharya, Minwoong Joe, Matthew S. Ide, Karalee Jarvis, Yuanyue Liu, Vaibhav Bahadur, Simon M. Humphrey, Yuebing Zheng
“Accumulation-Driven Unified Spatiotemporal Synthesis and Structuring of Immiscible Metallic Nanoalloys”
Matter, 1, 1606-1617,DOI: 10.1016/j.matt.2019.10.017 , November 2019
66. Long Cheng, Chenmu Zhang, Yuanyue Liu*
“How to Resolve a Phonon-Associated Property into Contributions of Basic Phonon Modes”
J. Phys. Mater., 2, 045005 DOI: 10.1088/2515-7639/ab2b7c , October 2019 (Invited paper for Emerging Leaders collection)
65. Jianjian Shi, Xunhua Zhao, Zhigang Wang*, Yuanyue Liu*
“Eliminating Trap States and Functionalizing Vacancies in 2D Semiconductors by Electrochemistry”
Small, 15, 1901899, DOI: 10.1002/smll.201901899 , October 2019
64. Long Cheng, Chenmu Zhang, Yuanyue Liu*
“The Optimal Electronic Structure for High-Mobility 2D Semiconductors: Exceptionally High Hole Mobility in 2D Antimony”;
J. Am. Chem. Soc., 141, 16296-16302, DOI: 10.1021/jacs.9b05923 , September 2019
63. Y. Zhu, Y. Ji, Z. Ju, K. Yu, P. Ferreira, Y. Liu, G. Yu
“Ultrafast Intercalation Enabled by Strong Solvent‐Host Interactions: Understanding Solvent Effect at Atomic Level”
Angew. Chem. Int. Ed., 58,17205-17209, DOI: 10.1002/anie.201908982 , September 2019
62. A. Mukhopadhyay, Y. Yang, Y. Li, Y. Chen, H. Li, A. Natan, Y. Liu, D. Cao, H. Zhu
“Mass Transfer and Reaction Kinetic Enhanced Electrode for High‐Performance Aqueous Flow Batteries”
Advanced Functional Materials, 29, 1903192, DOI: 10.1002/adfm.201903192 , August 2019
61. Y. Li, Y. Qian, Y. Ji, H. Li, Y. Liu*
“Improving Selectivity of CO Reduction via Reducing the Coordination of Critical Intermediates”
J. Mater. Chem. A, 7, 24000-24004, DOI: 10.1039/C9TA06529F , August 2019 (invited paper for Emerging Investigators collection)
60. G. Liu, Z. Li, J. Shi, K. Sun, Y. Ji, Z. Wang, Y. Qiu*, Y. Liu*, Z. Wang*, P. Hu*
“Black reduced porous SnO2 nanosheets for CO2 electroreduction with high formate selectivity and low overpotential”
Applied Catalysis B: Environmental, 260, 118134, DOI: 10.1016/j.apcatb.2019.118134 , August 2019.
59. H. Xu, P.-H. Chien, J. Shi, Y. Li, N. Wu, Y. Liu, Y.-Y. Hu, J. B. Goodenough
“High-performance all-solid-state batteries enabled by salt bonding to perovskite in poly (ethylene oxide)”
PNAS, 116, 18815-18821, DOI: 10.1073/pnas.1907507116 , August 2019
58. N. Zhang, Y. Li, J. Xu, J. Li, B. Wei, Y. Ding, I. Amorim, R. Thomas, S. M. Thalluri, Y. Liu*, G. Yu*, L. Liu*
“High-Performance Flexible Solid-State Asymmetric Supercapacitors Based on Bimetallic Transition Metal Phosphide Nanocrystals”
ACS Nano, 13, 10612-10621, DOI: 10.1021/acsnano.9b04810 , August 2019
57. X. Zhao, J. Shi, Y. Ji, Y. Liu*
“The Electronic Structure Underlying Electrocatalysis of Two-Dimensional materials”
Wiley Interdisciplinary Reviews: Computational Molecular Science, 9, e1418, DOI: 10.1002/wcms.1418 , May 2019 (Invited Review)
56. Wesley Luc, Xianbiao Fu, Jianjian Shi, Jing-Jing Lv, Matthew Jouny, Byung Hee Ko, Yaobin Xu, Qing Tu, Xiaobing Hu, Jinsong Wu, Qin Yue, Yuanyue Liu, Feng Jiao & Yijin Kang
“Two-dimensional copper nanosheets for electrochemical reduction of carbon monoxide to acetate”
Nature Catalysis, 2, 423–430, DOI: 10.1038/s41929-019-0269-8 , April 2019
55. X. Zhao, Y. Ji, J. Chen, W. Fu, J. Dan, Y. Liu*, S. J. Pennycook, W. Zhou*, K. P. Loh*
“Healing of Planar Defects in 2D Materials via Grain Boundary Sliding”
Advanced Materials, 31, 1900237, DOI: 10.1002/adma.201900237 , February 2019
54. N. Xuan, J. Chen, J. Shi, Y. Yue, P. Zhuang, K. Ba, Y. Sun, J. Shen, Y. Liu*, B. Ge*, Z. Sun*
“Single-Atom Electroplating on Two Dimensional Materials”
Chem. Mater. 31, 429-435,DOI: 10.1021/acs.chemmater.8b03796 , December 2018
53. Z. Lin, Y. Liu, U. Halim, M. Ding, Y. Liu, Y. Wang, C. Jia, P. Chen, X. Duan, C. Wang, F. Song, M. Li, C. Wan, Y. Huang, X. Duan
“Solution-processable 2D semiconductors for high-performance large-area electronics”
Nature, 562, 254–258, DOI: 10.1038/s41586-018-0574-4 , October 2018
52. Long Cheng, Yuanyue Liu*
“What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?”
J. Am. Chem. Soc., 140, 17895-17900, DOI: 10.1021/jacs.8b07871 , September 2018
51. I. Demeridou, I. Paradisanos, Y. Liu, N. Pliatsikas, P. A. Patsalas, S. Germanis, N. T. Pelekanos, W. A. Goddard III, G. Kioseoglou, E. Stratakis
“Spatially selective reversible charge carrier density tuning in WS2 monolayers via photochlorination”
2D Materials, 6, 015003, DOI: 10.1088/2053-1583/aae45c , September 2018
50. L. Lin, J. Li, W. Li, M. N. Yogeesh, J. Shi, X. Peng, Y. Liu, B. B. Rajeeva, M. F. Becker, Y. Liu, D. Akinwande, Y. B. Zheng
“Opto-thermoplasmonic Nanolithography for On-Demand Patterning of 2D Materials”
Advanced Functional Materials, 7, 1803990, DOI: 10.1002/adfm.201803990, August 2018
49. W. Niu, J. Shi, L. Ju, Z. Li, N. Orlovskaya, Y. Liu*, Y. Yang*
“Understanding Synergism of Cobalt Metal and Copper Oxide toward Highly Efficient Electrocatalytic Oxygen Evolution”
ACS Catalysis, 8, 12030-12040, DOI: 10.1021/acscatal.8b03702, August 2018
48. Donghoon Kim, Jianjian Shi, Yuanyue Liu*
“Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials”
J. Am. Chem. Soc., 140, 9127-9131, DOI: 10.1021/jacs.8b03002, June 2018
47. A. M. Hafez, Y. Jiao, J. Shi, Y. Ma, D. Cao, Y. Liu, H. Zhu
“Stable Metal Anode enabled by Porous Lithium Foam with Superior Ion Accessibility”
Advanced Materials, 30, 1802156, DOI: 10.1002/adma.201802156,June 2018
46. C. Lv, Y. Qian, C. Yan, Y. Ding, Y. Liu, G. Chen, G. Yu
“Defect Engineering Metal‐Free Polymeric Carbon Nitride Electrocatalyst for Effective Nitrogen Fixation under Ambient Conditions”
Angew. Chem. Int. Ed., 57, 10246-10250, DOI: 10.1002/anie.201806386, June 2018
45. Y. Liu*, W. Wu, and W. A. Goddard III*
“Tellurium: Fast Electrical and Atomic Transport along the Weak Interaction Direction”
J. Am. Chem. Soc., 140, 550, DOI: 10.1021/jacs.7b09964, January 2018
44. X. Fan, Y. Liu, S. Chen, J. Shi, J. Wang, A. Fan, W. Zan, S. Li, W. A. Goddard III, X.-M. Zhang
“Defect-enriched iron fluoride-oxide nanoporous thin films bifunctional catalyst for water splitting”
Nature Communications, 9, 1809, DOI: 10.1038/s41467-018-04248-y, May 2018
43. Y. Wang, G. Qiu, R. Wang, S. Huang, Q. Wang, Y. Liu, Y. Du, W. A. Goddard III, M. J. Kim, X. Xu, P. Ye & W. Wu
“Field-effect transistors made from solution-grown two-dimensional tellurene”
Nature Electronics, 1, 228–236, DOI: 10.1038/s41928-018-0058-4, April 2018
42. Y. Yang, L. C. Kao, Y. Liu, K. Sun, H. Yu, J. Guo, S. Y. H. Liou, M. R. Hoffmann
“Cobalt-Doped Black TiO2 Nanotube Array as a Stable Anode for Oxygen Evolution and Electrochemical Wastewater Treatment”
ACS Catalysis, 8, 4278, DOI: 10.1021/acscatal.7b04340, April 2018
41. C. Wang, Q. He, U. Halim, Y. Liu, E. Zhu, Z. Lin, H. Xiao, X. Duan, Z. Feng, R. Cheng, N. O. Weiss, G. Ye, Y.-C. Huang, H. Wu, H.-C. Cheng, I. Shakir, L. Liao, X. Chen, W. A. Goddard III, Y. Huang, X. Duan
“Monolayer atomic crystal molecular superlattices”
Nature, 555, 231, DOI: 10.1038/nature25774, March 2018
40. S. Yang, Y. Liu*, Y. Hao, X. Yang, W. A. Goddard III, X. L. Zhang, B. Cao*
“Oxygen-Vacancy Abundant Ultrafine Co3O4/Graphene Composites for High‐Rate Supercapacitor Electrodes”
Advanced Science, 5, 1700659, DOI: 10.1002/advs.201700659, January 2018
39. X. Yu, L. Cheng, Y. Liu, A. Manthiram
“A Membraneless Direct Isopropanol Fuel Cell (DIPAFC) Operated with a Catalyst-Selective Principle”
J. Phys. Chem. C, 122, 13558-13563, DOI: 10.1021/acs.jpcc.7b12535, January 2018
38. Y. Liu, J. Wu, K. P. Hackenberg, J. Zhang, Y. M. Wang, Y. Yang, K. Keyshar, J. Gu, T. Ogitsu, R. Vajtai, J. Lou, P. M. Ajayan, B. C. Wood, B. I. Yakobson
“Self-optimizing, highly surface-active layered metal dichalcogenide catalysts for hydrogen evolution”
Nature Energy, 6, 17127, DOI: 10.1038/nenergy.2017.127, July 2017 (Cover article)
37. H. Xiao, W. A. Goddard III, T. Cheng, Y. Liu
“Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2”
PNAS 114, 6685, DOI: 10.1073/pnas.1702405114, June 2017
36. H. Zhou, F. Yu, Y. Liu, J. Sun, Z. Zhu, R. He, J. Bao, W. A. Goddard III, S. Chen, Z. Ren
“Outstanding hydrogen evolution reaction catalyzed by porous nickel diselenide electrocatalysts”
Energy Environ. Sci., 10, 1487-1492, DOI: 10.1039/C7EE00802C, May 2017
35. I. H. Abidi, Y. Liu, J. Pan, A. Tyagi, M. Zhuang, Q. Zhang, A. A. Cagang, L. Weng, P. Sheng, W. A. Goddard III, Z. Luo
“Regulating Top-Surface Multilayer/Single-Crystal Graphene Growth by Gettering Carbon Diffusion at Backside of the Copper Foil”
Adv. Funct. Mater. 27, 1700121, DOI: 10.1002/adfm.201700121, April 2017
34. R. Ye, Y. Liu, H. Zhang, H. Su, Y. Zhang, L. Xu, R. Hu, R. T. K. Kwok, K. Sing Wong, J. W. Y. Lam, W. A. Goddard III, B. Z. Tang
“Non-conventional fluorescent biogenic and synthetic polymers without aromatic rings”
Polym. Chem., 8, 1722-1727, DO1: 10.1039/C7PY00154A, February 2017
33. X. Fan, Y. Liu, Z. Peng, Z. Zhang, H. Zhou, X. Zhang, B. I. Yakobson, W. A. Goddard, X. Guo, R. H. Hauge, J. M. Tour
“Atomic H-Induced Mo2C Hybrid as an Active and Stable Bifunctional Electrocatalyst”
ACS Nano, 11, 384–394, DOI: 10.1021/acsnano.6b06089, January 2017
32. R. Ye, Y. Liu, Z. Peng, T. Wang, A. S. Jalilov, B. I. Yakobson, S. Wei, James M. Tour
“High Performance Electrocatalytic Reaction of Hydrogen and Oxygen on Ruthenium Nanoclusters”
ACS Appl. Mater. Interfaces, 9, 3785, DOI: 10.1021/acsami.6b15725, January 2017
31. Y. Liu,* H. Xiao, W. A. Goddard III*
“Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes”
J. Am. Chem. Soc., 138, 15853, DOI: 10.1021/jacs.6b10834, December 2016
30. Y. Liu,* H. Xiao, W. A. Goddard III*
“Two-dimensional Halide Perovskites: Tuning Electronic Activities of Defects”
Nano Lett. 16, 3335, DOI: 10.1021/acs.nanolett.6b00964, April 2016
29. Y. Liu,* P. Stradins, S. Wei*;
“Van der Waals metal-semiconductor junction: weak Fermi level pinning enables effective tuning of Schottky barrier”;
Science Advances 2, e1600069, DOI: 10.1126/sciadv.1600069, April 2016
28. Y. Liu,* B. Merinov, W. A. Goddard III*;
“Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals”;
PNAS 113, 3735, DOI: 10.1073/pnas.1602473113, March, 2016
27. W. Wu, L. Wang, R. Yu, Y. Liu, S. Wei, J. Hone, Z. L. Wang
“Piezophototronic Effect in Single-Atomic-Layer MoS2 for Strain-Gated Flexible Optoelectronics”
Advanced Materials, 28, 8463, DOI: 10.1002/adma.201602854, August 2016
26. Y. Hao, L. Wang, Y. Liu, H. Chen, X. Wang, C. Tan, S. Nie, J. W. Suk, T. Jiang, T. Liang, J. Xiao, W. Ye, C. R. Dean, B. I. Yakobson, K. F. McCarty, P. Kim, J. Hone, L. Colombo, R. S. Ruoff
“Oxygen-activated growth and bandgap tunability of large single-crystal bilayer graphene”
Nature Nanotechnology 11, 426, DOI: 10.1038/nnano.2015.322, February 2016 (cover article)
25. Z. Zhang, Y. Liu, Y. Yang, B. I. Yakobson
“Growth Mechanism and Morphology of Hexagonal Boron Nitride”
Nano Lett. 16, 1398, DOI: 10.1021/acs.nanolett.5b04874, February 2016
24. J. Ye, Y. An, E. Montalvo, P. G. Campbell, M. A. Worsley, I. C. Tran, Y. Liu, B. C. Wood, J. Biener, H. Jiang, M. Tang, Y. M. Wang
“Solvent-directed sol-gel assembly of 3-dimensional graphene-tented metal oxides and strong synergistic disparities in lithium storage”
J. Mater. Chem. A, 4, 4032, February 2016, DOI: 10.1039/C5TA10730J
23. Y. Liu,* P. Stradins,* H. Deng, J. Luo, S. Wei*
“Suppress carrier recombination by introducing defects: The case of Si solar cell”
Appl. Phys. Lett. 108, 022101, January 2016 (selected by APL as one of the most read articles in 2016), DOI: 10.1063/1.4939628
22. Y. Liu,* P. Stradins, S. Wei*
“Air Passivation of Chalcogen Vacancies in Two-Dimensional Semiconductors”
Angew. Chem. Int. Edit. 55, 965-968, November 2015, DOI: 10.1002/anie.201508828
21. R. Ye, P. D. A. Vicente, Y. Liu, J. Arellano-Jimenez, Z. Peng, T. Wang, Y. Li, B. I. Yakobson, S. Wei, M. J. Yacaman, J. M. Tour
“High-performance hydrogen evolution from MoS2(1-x) Px solid solution”
Advanced Materials 28, 1427-1432, December 2015, DOI: 10.1002/adma.201504866
20. J. Ye, M. T. Ong, T. W. Heo, P. G. Campbell, M. A. Worsley, Y. Liu, S. J. Shin, S. Charnvanichborikarn, M. J. Matthews, M. Bagge-Hansen, J. R.I. Lee, B. C. Wood, Y. M. Wang
“Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins”
Sci. Rep. 5, 16190, November 2015, DOI: 10.1038/srep16190
19. Y. Liu, F. Xu, Z. Zhang, E. S. Penev, B. I. Yakobson
“Two-Dimensional Mono-Elemental Semiconductor with Electronically Inactive Defects: The Case of Phosphorus”
Nano Lett. 14, 6782 August 2014 (cover article), DOI: 10.1021/nl5021393
18. Y. Liu, Y. M. Wang, B. I. Yakobson, B. C. Wood
“Assessing carbon-based anodes for lithium-ion batteries: A universal description of charge-transfer binding”
Phys. Rev. Lett. 113, 028304, July 2014, DOI: 10.1103/PhysRevLett.113.028304
17. J. Lin, Z. Peng, Y. Liu, F. Ruiz-Zepeda, R. Ye, E. Samuel, M. Jose-Yacaman, B. I. Yakobson, J. M. Tour
“Laser-induced porous graphene films from commercial polymers”
Nature Communications 5, 5714, December 2014, DOI: 10.1038/ncomms6714
16. M. Liu, A. Kutana, Y. Liu, B. I. Yakobson
First Principles Studies of Li Nucleation on Graphene”
J. Phys. Chem. Lett. 5, 1225, March 2014, DOI: 10.1021/jz500199d
15. Z. Yan, Y. Liu, (co-first author) L. Ju, Z. Peng, J. Lin, G. Wang, H. Zhou, C. Xiang, E. Samuel, C. Kittrell, V. Artyukhov, F. Wang, B. I. Yakobson, J. M. Tour
“Large Hexagonal Bi- and Trilayer Graphene Single Crystals with Varied Interlayer Rotations”
Angew. Chem. Int. Edit. 126, 1591, January 2014, DOI: 10.1002/ange.201306317
14. Y. Liu, E. S. Penev, B. I. Yakobson
“Probing the Synthesis of Two-dimensional Boron by First-principles Computations”
Angew. Chem. Int. Edit. 52, 3156, January 2013, DOI: 10.1002/anie.201207972
13. Y. Hao, M. S. Bharathi, L. Wang, Y. Liu, H. Chen, S. Nie, X. Wang, H. Chou, C. Tan, B. Fallahazad, H. Ramanarayan, C. W. Magnuson, E. Tutuc, B. I. Yakobson, K. F. McCarty, Y. Zhang, P. Kim, J. Hone, L. Colombo, R. S. Ruoff
“The Role of Surface Oxygen in the Growth of Large Single-Crystal Graphene on Copper”
Science 342, 720, October 2013 (cover article), DOI: 10.1126/science.1243879
12. Z. Yan, Y. Liu, J. Lin, Z. Peng, G. Wang, E. Pembroke, H. Zhou, C. Xiang, A. Raji, E. Samuel, T. Yu, B. I. Yakobson, J. M. Tour
“Hexagonal Graphene Onion Rings”
J. Am. Chem. Soc. 135, 10755, July 2013, DOI: 10.1021/ja403915m
11. H. Zhou, F. Yu, Y. Liu, X. Zou, C. Cong, C. Qiu, T. Yu, Z. Yan, X. Shen, L. Sun, B. I. Yakobson, J. M. Tour
“Thickness-dependent Patterning of MoS2 Sheets with Well-oriented Triangular Pits by Heating in Air”
Nano Research 6, 703, July 2013, DOI: 10.1007/s12274-013-0346-2
10. Y. Liu, V. I. Artyukhov, M. Liu, A. R. Harutyunyan, B. I. Yakobson
“Feasibility of Lithium Storage on Graphene and Its Derivatives”
J. Phys. Chem. Lett. 4, 1737, May 2013, DOI: 10.1021/jz400491b
9. Y. Liu, X. Zou, B. I. Yakobson
“Dislocations and Grain Boundaries in Two-Dimensional Boron Nitride”
ACS Nano 6, 7053, July 2012, DOI: 10.1021/nn302099q
8. X. Zou, Y. Liu, B. I. Yakobson
“Predicting Dislocations and Grain Boundaries in Two-dimensional Metal-disulfides from the First Principles”
Nano Lett. 13, 253, December 2012, DOI: 10.1021/nl3040042
7. V. I. Artyukhov, Y. Liu, B. I. Yakobson
“Equilibrium at the Edge and Atomistic Mechanisms of Graphene Growth”
PNAS 109, 15136, September 2012, DOI: 10.1073/pnas.1207519109
6. Y. Liu, S. Bhowmick, B. I. Yakobson
“BN White Graphene with Colorful Edges: The Energies and Morphology”
Nano Lett. 11, 3113, July 2011, DOI: 10.1021/nl2011142
5. K. Kim, V. I. Artyukhov, W. Regan, Y. Liu, M. Crommie, B. I. Yakobson, A. Zettl
“Ripping Graphene: Preferred Directions”
Nano Lett. 12 293, December 2011, DOI: 10.1021/nl203547z
4. Y. Liu, A. Dobrinsky, B. I. Yakobson
“Graphene Edge from Armchair to Zigzag: The Origins of Nanotube Chirality”
Phys. Rev. Lett. 105, 235502, December 2010, DOI: 10.1103/PhysRevLett.105.235502
3. Y. Liu, B. I. Yakobson
“Cones, Pringles, and Grain Boundary Landscapes in Graphene Topology”
Nano Lett. 10, 2178, May 2010, DOI: 10.1021/nl100
2. Maogang Gong, Xiaoliang Xu, Zhou Yang, Yuanyue Liu, Haifei Lv, Liu Lv
“A reticulate superhydrophobic self-assembly structure prepared by ZnO nanowires”
Nanotechnology, 20, 165602, April 2009, DOI: 10.1088/0957-4484/20/16/165602
1. Maogang Gong, Xiaoliang Xu, Zili Cao, Yuanyue Liu, Haiming Zhu;
“Two-step growth of superhydrophobic ZnO nanorod array films”;
Acta Physica Sinica. 58, 1885, March 2009, DOI: 10.7498/aps.58.1885