Progress in accurate chemical kinetic modeling, simulations, and parameter estimation for heterogeneous catalysis S Matera, WF Schneider, A Heyden, A Savara Acs Catalysis 9 (8), 6624-6647, 2019 | 181 | 2019 |
Harnessing strong metal–support interactions via a reverse route P Wu, S Tan, J Moon, Z Yan, V Fung, N Li, SZ Yang, Y Cheng, CW Abney, ... Nature communications 11 (1), 3042, 2020 | 112 | 2020 |
Catalytic reduction of NH4NO3 by NO: effects of solid acids and implications for low temperature DeNOx processes A Savara, MJ Li, WMH Sachtler, E Weitz Applied Catalysis B: Environmental 81 (3-4), 251-257, 2008 | 104 | 2008 |
Subsurface hydrogen diffusion into Pd nanoparticles: role of low-coordinated surface sites and facilitation by carbon W Ludwig, A Savara, RJ Madix, S Schauermann, HJ Freund The Journal of Physical Chemistry C 116 (5), 3539-3544, 2012 | 103 | 2012 |
Benzyl alcohol oxidation on carbon‐supported Pd nanoparticles: Elucidating the reaction mechanism A Savara, CE Chan‐Thaw, I Rossetti, A Villa, L Prati ChemCatChem 6 (12), 3464-3473, 2014 | 98 | 2014 |
Olefin hydrogenation on Pd model supported catalysts: New mechanistic insights W Ludwig, A Savara, KH Dostert, S Schauermann Journal of catalysis 284 (2), 148-156, 2011 | 96 | 2011 |
Design of tough adhesive from commodity thermoplastics through dynamic crosslinking MA Rahman, C Bowland, S Ge, SR Acharya, S Kim, VR Cooper, XC Chen, ... Science advances 7 (42), eabk2451, 2021 | 80 | 2021 |
Adsorption entropies and enthalpies and their implications for adsorbate dynamics A Savara, CM Schmidt, FM Geiger, E Weitz The Journal of Physical Chemistry C 113 (7), 2806-2815, 2009 | 66 | 2009 |
Selective benzyl alcohol oxidation over Pd catalysts CE Chan-Thaw, A Savara, A Villa Catalysts 8 (10), 431, 2018 | 60 | 2018 |
Role of low-coordinated surface sites in olefin hydrogenation: A molecular beam study on Pd nanoparticles and Pd (111) W Ludwig, A Savara, S Schauermann, HJ Freund ChemPhysChem 11 (11), 2319, 2010 | 59 | 2010 |
Microkinetic Modeling of Benzyl Alcohol Oxidation on Carbon‐Supported Palladium Nanoparticles A Savara, I Rossetti, CE Chan‐Thaw, L Prati, A Villa ChemCatChem 8 (15), 2482-2491, 2016 | 55 | 2016 |
An overview of the mechanisms of NOx reduction with oxygenates over zeolite and γ-Al2O3 catalysts Y Yeom, M Li, A Savara, W Sachtler, E Weitz Catalysis Today 136 (1-2), 55-63, 2008 | 50 | 2008 |
Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO2 JE Sutton, JM Lorenzi, JT Krogel, Q Xiong, S Pannala, S Matera, A Savara ACS Catalysis 8 (6), 5002-5016, 2018 | 49 | 2018 |
Standard states for adsorption on solid surfaces: 2D gases, surface liquids, and Langmuir adsorbates A Savara The Journal of Physical Chemistry C 117 (30), 15710-15715, 2013 | 48 | 2013 |
Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts W Liu, Y Jiang, KH Dostert, CP O’Brien, W Riedel, A Savara, ... Science Advances 3 (7), e1700939, 2017 | 47 | 2017 |
Elucidation of intermediates and mechanisms in heterogeneous catalysis using infrared spectroscopy A Savara, E Weitz Annual review of physical chemistry 65 (1), 249-273, 2014 | 43 | 2014 |
Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis S Gur, T Danielson, Q Xiong, C Hin, S Pannala, G Frantziskonis, A Savara, ... Chemical Engineering Science 144, 165-175, 2016 | 38 | 2016 |
Toward low-temperature dehydrogenation catalysis: isophorone adsorbed on Pd (111) W Liu, A Savara, X Ren, W Ludwig, KH Dostert, S Schauermann, ... The Journal of Physical Chemistry Letters 3 (5), 582-586, 2012 | 38 | 2012 |
CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory A Savara, EA Walker ChemCatChem, 2020 | 34 | 2020 |
SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations T Danielson, JE Sutton, C Hin, A Savara Computer Physics Communications 219, 149-163, 2017 | 32 | 2017 |