Mingxia Zhou#, Aimee Lu Church#, Michael J. Cordon, Chenyang Li, Rodney D. Hunt, Jae-Soon Choi, Lei Bai, Zhenglong Li, James E. Parks, Michael Z. Hu, Larry A. Curtiss, and Rajeev S. Assary*, Mechanistic Insights and Rational Design of Ca-Doped CeO2 Catalyst for Acetic Acid Ketonization, ACS Sustain. Chem. Eng, 2022, 1(34): 11068-11077.
Mingxia Zhou, Hieu A. Doan, Larry A. Curtiss, Rajeev S. Assary*, Identification of Active Metal Carbide and Nitride Catalytic Facets for Hydrodeoxygenation, J. Phys. Chem. C. 2021, 125, 16, 8630.
Mingxia Zhou; Siddarth H. Krishna; Mario De bruyn; Bert M. Weckhuysen; Larry A. Curtiss; James A. Dumesic; George W., Rajeev S. Assary*, Mechanistic Insight into the Conversion of Bio-renewable Levoglucosanol to Dideoxysugars, ACS. Sustain. Chem. Eng. 2020, 8, 43, 16339-16349.
Mingxia Zhou; Hieu A. Doan; Larry A. Curtiss; Rajeev S. Assary*, Effect of Ni Dopant on Furan Activation over Mo2C Surface: Insights from First-Principles-Based Microkinetic Modeling, J. Phys. Chem. C. 2020, 124, 5636-5646.
Mingxia Zhou, Lei Cheng, Bin Liu, Larry A. Curtiss, and Rajeev S. Assary*, A First-Principles Investigation of Gas-phase Ring-Opening Reaction of Furan over HZSM-5 and Ga-Substituted ZSM-5, Ind. Eng. Chem. Res. 2019, 58, 15127-15133.
Mingxia Zhou; Lei Cheng; Jae-Soon Choi; Bin Liu; Larry A. Curtiss; Rajeev S. Assary*, Ni-Doping Effects on Oxygen Removal from an Orthorhombic Mo2C(001) surface: A Density Functional Theory Study, J. Phys. Chem. C. 2018, 122, 3, 1595-1603.
Mingxia Zhou; Bin Liu, First-principles Investigation of Adsorbate-Adsorbate Interactions on Ni(111), Ni(211), and Ni(100) surfaces, Ind. Eng. Chem. Res. 2017, 56, 20, 5813-5820.
Mingxia Zhou; Thong Nguyen-Minh Le; Lam K. Huynh; Bin Liu*, Effects of Structure and Size of Ni nanocatalysts on Hydrogen Selectivity via Water-gas-shift Reaction – A First-Principles-Based Kinetic Study, Catal. Today. 2017, 280, 210-219.
Mingxia Zhou; Bin Liu*, DFT Investigation on the Competition of the Water-Gas Shift Reaction Versus Methanation on Clean and Potassium-Modified Nickel(111) Surface, ChemCatChem. 2015, 7, 3928-3935.
Yuming Li#, Yingjie Ma#, Qiyang Zhang#, Vita A. Kondratenko, Guiling Jiang, Huaqian Sun, Shanlei Han, Yajun Wang, Guoqing Cui, Mingxia Zhou, Qing Huan, Zhen Zhao, Chunming Xu, Guiyuan Jiang, Evgenii V. Kondratenko, Molecularly defined approach for preparation of ultrasmall Pt-Sn species for efficient dehydrogenation of propane to propene, J Catal. 2023, 418, 290-299.
Hieu A. Doan*, Chenyang Li, Logan Ward, Mingxia Zhou, Larry A. Curtiss and Rajeev S. Assary *, Accelerating the evaluation of crucial descriptors for catalyst screening via message passing neural network, Digital Discovery, 2023, 2, 59.
Yuming Li#, Xuezhi Yu#, Qiyang Zhang, Vita A. Kondratenko, Yajun Wang, Guoqing Cui, Mingxia Zhou, Chunming Xu, Evgenii V. Kondratenko*, Guiyuan Jiang*, The nature of VOx structures in HMS supported vanadium catalysts for non-oxidative propane dehydrogenation, J Catal. 2022, 413-658-667.
Hui Wang, Jaegeon Ryu, Scott A. McClary, Daniel M. Long, Mingxia Zhou, Mark H. Engelhard, Liangfeng Zou, Joseph Quinn, Paul Kotula, Kee Sung Han, Haiping Jia, Chongmin Wang, Rajeev S. Assary, Kevin R. Zavadil, Vijayakumar Murugesan, Karl T. Mueller, Yuyan Shao*, An Electrochemically Activated Nanofilm for Sustainable Mg Anode with Fast Charge Transfer Kinetics. J. Electrochem. Soc, 2021, 168, 120519.
Michael J. Cordon, Junyan Zhang, Stephen C. Purdy, Evan C. Wegener, Kinga A. Unocic, Lawrence F. Allard, Mingxia Zhou, Rajeev S. Assary, Jeffrey T. Miller, Theodore Krause, Fan Lin, Huaming Wang, A. Jeremy Kropf, Ce Yang, Dongxia Liu, Zhenglong Li*. Selective Butene Formation in Direct Ethanol-to-C3+-Olefin Valorization over Zn–Y/Beta and Single-Atom Alloy Composite Catalysts Using In Situ-Generated Hydrogen, ACS Catal. 2021, 11, 7193-7209.
Xiangchen Huo, Davis R. Conklin, Mingxia Zhou, Vassili Vorotnikov, Rajeev S. Assary, Stephen C. Purdy, Katharine Page, Zhenglong Li, Kinga A. Unocic, Raiven I. Balderas, Ryan M. Richards, Derek R. Vardon*, Catalytic Activity and Water Stability of the MgO(111) Surface for 2-Pentanone Condensation, Appl. Catal. B. 2021, 294, 120234.
Hui Wang, Xuefei Feng, Ying Chen, Yi-Sheng Liu, Kee Sung Han, Mingxia Zhou, Mark H. Engelhard, Vijayakumar. Murugesan, Rajeev S. Assary, Tianbiao Leo Liu, Wesley Henderson, Zimin Nie, Meng Gu, Jie Xiao, Chongmin Wang, Kristin Persson, Donghai Mei, Ji-Guang Zhang, Karl T. Mueller, Jinghua Guo, Kevin Zavadil, Yuyan Shao, and Jun Liu*, Reversible Electrochemical Interface of Mg Metal and Conventional Electrolyte Enabled by Intermediate Adsorption, ACS Energy Lett. 2020, 5, 200-206.
Zhuo-Liang Jiang, Gui-Liang Xu, Zhou Yu, Tian-Hang Zhou, Wen-Ke Shi, Cong-Shan Luo, Hongjun Zhou, Li-Bin Chen, Wen-Jia Sheng, Mingxia Zhou, Lei Cheng, Rajeev S. Assary, Shi-Gang Sun, Khalil Amine, Hui Sun*, High Rate and Long Cycle Life in Li-O2 Batteries with Highly Efficient Catalytic Cathode Configured with Co3O4 Nanoflower, Nano Energy. 2019, 64, 103896.
Wenshuai Zhu, Zili Wu, Guo Shiou Foo, Xiang Gao, Mingxia Zhou, Bin Liu, Gabriel M. Veith, Peiwen Wu, Katie L. Browning, Ho Nyung Lee, Huaming Li, Sheng Dai, and Huiyuan Zhu*, Taming Interfacial Electronic Properties of Pt Nanoparticles on Vacancy-abundant Boron Nitride Nanosheets for Enhanced Catalysis, Nat. Commun. 2017, 8, 15291-15297.
Nannan Shan, Mingxia Zhou, Mary K. Hanchett, Josephine Chen, Bin Liu*, Practical Principles of Density Functional Theory for Catalytic Reaction Simulations on Metal Surfaces – from Theory to Applications, Mol. Simulat. 2017, 43, 861-885.
Bin Liu, Mingxia Zhou, Maria K. Y. Chan, Jeffrey P. Greeley*, Understanding Polyol Decomposition on Bimetallic Pt-Mo Catalysts – A DFT Study of Glycerol, ACS Catal. 2015, 5, 4942-4950.
