| The ReaxFF reactive force-field: development, applications and future directions TP Senftle, S Hong, MM Islam, SB Kylasa, Y Zheng, YK Shin, ... npj Computational Materials 2 (1), 1-14, 2016 | 706 | 2016 |
| Selectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps X Nie, MR Esopi, MJ Janik, A Asthagiri Angewandte Chemie 125 (9), 2519-2522, 2013 | 586 | 2013 |
| Beyond fossil fuel–driven nitrogen transformations JG Chen, RM Crooks, LC Seefeldt, KL Bren, RM Bullock, ... Science 360 (6391), 2018 | 427 | 2018 |
| A first principles comparison of the mechanism and site requirements for the electrocatalytic oxidation of methanol and formic acid over Pt M Neurock, M Janik, A Wieckowski Faraday discussions 140, 363-378, 2009 | 395 | 2009 |
| Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt (111) J Rossmeisl, JK Nørskov, CD Taylor, MJ Janik, M Neurock The Journal of Physical Chemistry B 110 (43), 21833-21839, 2006 | 373 | 2006 |
| Catalysts for nitrogen reduction to ammonia SL Foster, SIP Bakovic, RD Duda, S Maheshwari, RD Milton, SD Minteer, ... Nature Catalysis 1 (7), 490-500, 2018 | 359 | 2018 |
| Reaction mechanisms of CO2 electrochemical reduction on Cu (1 1 1) determined with density functional theory X Nie, W Luo, MJ Janik, A Asthagiri Journal of catalysis 312, 108-122, 2014 | 235 | 2014 |
| First-principles analysis of the initial electroreduction steps of oxygen over Pt (111) MJ Janik, CD Taylor, M Neurock Journal of the Electrochemical Society 156 (1), B126, 2008 | 218 | 2008 |
| Facet Dependence of CO2 Reduction Paths on Cu Electrodes W Luo, X Nie, MJ Janik, A Asthagiri ACS Catalysis 6 (1), 219-229, 2016 | 214 | 2016 |
| Methane Activation and Oxygen Vacancy Formation over CeO2 and Zr, Pd Substituted CeO2 Surfaces AD Mayernick, MJ Janik The Journal of Physical Chemistry C 112 (38), 14955-14964, 2008 | 158 | 2008 |
| Methane oxidation on Pd–Ceria: A DFT study of the mechanism over PdxCe1− xO2, Pd, and PdO AD Mayernick, MJ Janik Journal of Catalysis 278 (1), 16-25, 2011 | 143 | 2011 |
| Mechanistic consequences of composition in acid catalysis by polyoxometalate keggin clusters J Macht, MJ Janik, M Neurock, E Iglesia Journal of the American Chemical Society 130 (31), 10369-10379, 2008 | 133 | 2008 |
| Location, acid strength, and mobility of the acidic protons in Keggin 12-H3PW12O40: A combined solid-state NMR spectroscopy and DFT quantum chemical calculation study J Yang, MJ Janik, D Ma, A Zheng, M Zhang, M Neurock, RJ Davis, C Ye, ... Journal of the American Chemical Society 127 (51), 18274-18280, 2005 | 133 | 2005 |
| Catalytic consequences of composition in polyoxometalate clusters with Keggin structure J Macht, MJ Janik, M Neurock, E Iglesia Angewandte Chemie 119 (41), 8010-8014, 2007 | 118 | 2007 |
| Periodic trends of oxygen vacancy formation and C–H bond activation over transition metal-doped CeO2 (1 1 1) surfaces MD Krcha, AD Mayernick, MJ Janik Journal of catalysis 293, 103-115, 2012 | 109 | 2012 |
| A computational and experimental study of anhydrous phosphotungstic acid and its interaction with water molecules MJ Janik, KA Campbell, BB Bardin, RJ Davis, M Neurock Applied Catalysis A: General 256 (1-2), 51-68, 2003 | 106 | 2003 |
| Correlating acid properties and catalytic function: a first-principles analysis of alcohol dehydration pathways on polyoxometalates MJ Janik, J Macht, E Iglesia, M Neurock The Journal of Physical Chemistry C 113 (5), 1872-1885, 2009 | 104 | 2009 |
| pH and alkali cation effects on the Pt cyclic voltammogram explained using density functional theory IT McCrum, MJ Janik The Journal of Physical Chemistry C 120 (1), 457-471, 2016 | 101 | 2016 |
| Co‐adsorption of cations as the cause of the apparent pH dependence of hydrogen adsorption on a stepped platinum single‐crystal electrode X Chen, IT McCrum, KA Schwarz, MJ Janik, MTM Koper Angewandte Chemie International Edition 56 (47), 15025-15029, 2017 | 99 | 2017 |
| Direct borohydride oxidation: mechanism determination and design of alloy catalysts guided by density functional theory G Rostamikia, MJ Janik Energy & Environmental Science 3 (9), 1262-1274, 2010 | 96 | 2010 |
Matthew NeurockDepartment of Chemical Engineering and Materials Science, University of MinnesotaVerified email at umn.edu
