| Taming interfacial electronic properties of Pt nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis W Zhu, Z Wu, GS Foo, X Gao, M Zhou, B Liu, GM Veith, P Wu, ... Nature Communications, 2017 | 217 | 2017 |
| High rate and long cycle life in Li-O2 batteries with highly efficient catalytic cathode configured with Co3O4 nanoflower HS Zhuo-Liang Jiang, Gui-Liang Xu, Zhou Yu, Tian-Hang Zhou, Wen-Ke Shi, Cong ... Nano Energy 64 (103896), 2019 | 83 | 2019 |
| DFT Investigation on the Competition of the Water–Gas Shift Reaction Versus Methanation on Clean and Potassium-Modified Nickel(111) Surfaces M Zhou, B Liu ChemCatChem 7, 3928-3935, 2015 | 57 | 2015 |
| Reversible electrochemical interface of Mg metal and conventional electrolyte enabled by intermediate adsorption H Wang, X Feng, Y Chen, YS Liu, KS Han, M Zhou, MH Engelhard, ... ACS Energy Letters 5 (1), 200-206, 2019 | 48 | 2019 |
| Practical principles of density functional theory for catalytic reaction simulations on metal surfaces–from theory to applications N Shan, M Zhou, MK Hanchett, J Chen, B Liu Molecular Simulation 43 (10-11), 861-885, 2017 | 37 | 2017 |
| Effects of structure and size of Ni nanocatalysts on hydrogen selectivity via water-gas-shift reaction—A first-principles-based kinetic study M Zhou, TNM Le, LK Huynh, B Liu Catalysis Today 280, 210-219, 2017 | 28 | 2017 |
| Understanding Polyol Decomposition on Bimetallic Pt−Mo Catalysts-A DFT Study of Glycerol B Liu, M Zhou, MKY Chan, JP Greeley ACS Catalysis 5, 4942-4950, 2015 | 27 | 2015 |
| A first-principles investigation of adsorbate-adsorbate interactions on Ni(111), Ni(211), and Ni(100) surfaces M Zhou, B Liu Ind. Eng. Chem. Res, 2017 | 24 | 2017 |
| Ni-Doping Effects on Oxygen Removal from an Orthorhombic Mo2C (001) Surface: A Density Functional Theory Study RSA Mingxia Zhou, Lei Cheng, Jae-Soon Choi , Bin Liu , Larry A. Curtiss* J. Phys. Chem. C, 2018 | 21 | 2018 |
| Selective Butene Formation in Direct Ethanol-to-C3+-Olefin Valorization over Zn–Y/Beta and Single-Atom Alloy Composite Catalysts Using In Situ-Generated … MJ Cordon, J Zhang, SC Purdy, EC Wegener, KA Unocic, LF Allard, ... ACS Catalysis 11 (12), 7193-7209, 2021 | 19 | 2021 |
| Catalytic activity and water stability of the MgO (111) surface for 2-pentanone condensation X Huo, DR Conklin, M Zhou, V Vorotnikov, RS Assary, SC Purdy, K Page, ... Applied Catalysis B: Environmental 294, 120234, 2021 | 12 | 2021 |
| Identification of Active Metal Carbide and Nitride Catalytic Facets for Hydrodeoxygenation Reactions M Zhou, HA Doan, LA Curtiss, RS Assary The Journal of Physical Chemistry C 125 (16), 8630-8637, 2021 | 12 | 2021 |
| Effect of Ni Dopant on Furan Activation over Mo2C Surface: Insights from First-Principles-Based Microkinetic Modeling M Zhou, HA Doan, LA Curtiss, RS Assary The Journal of Physical Chemistry C 124 (10), 5636-5646, 2020 | 8 | 2020 |
| A First-Principles Investigation of Gas-Phase Ring-Opening Reaction of Furan over HZSM-5 and Ga-Substituted ZSM-5 M Zhou, L Cheng, B Liu, LA Curtiss, RS Assary Industrial & Engineering Chemistry Research 58 (33), 15127-15133, 2019 | 6 | 2019 |
| Accelerating the evaluation of crucial descriptors for catalyst screening via message passing neural network HA Doan, C Li, L Ward, M Zhou, LA Curtiss, RS Assary Digital Discovery, 2023 | 3 | 2023 |
| Mechanistic Insights and Rational Design of Ca-Doped CeO2 Catalyst for Acetic Acid Ketonization M Zhou, AL Church, MJ Cordon, C Li, RD Hunt, JS Choi, L Bai, Z Li, ... ACS Sustainable Chemistry & Engineering 10 (34), 11068-11077, 2022 | 3 | 2022 |
| An Electrochemically Activated Nanofilm for Sustainable Mg Anode with Fast Charge Transfer Kinetics H Wang, J Ryu, SA McClary, DM Long, M Zhou, MH Engelhard, L Zou, ... Journal of The Electrochemical Society 168 (12), 120519, 2021 | 3 | 2021 |
| Mechanistic Insights into the Conversion of Biorenewable Levoglucosanol to Dideoxysugars M Zhou, SH Krishna, M De Bruyn, BM Weckhuysen, LA Curtiss, ... ACS Sustainable Chemistry & Engineering 8 (43), 16339-16349, 2020 | 2 | 2020 |
| First-principles Based Micro-kinetic Modeling for Catalysts Design M Zhou Kansas State University, 2018 | 1 | 2018 |
| First-principle based microkinetic study of water effect in aldol condensation reaction on MgO (111) surface M Zhou, L Curtiss, R Assary ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
