Cu2O/CuS Nanocomposites Show Excellent Selectivity and Stability for Formate Generation via Electrochemical Reduction of Carbon Dioxide S Wang, T Kou, JB Varley, SA Akhade, SE Weitzner, SE Baker, EB Duoss, ... ACS Materials Letters 3 (1), 100-109, 2020 | 78 | 2020 |
Toward Engineering of Solution Microenvironments for the CO2 Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional … SE Weitzner, SA Akhade, JB Varley, BC Wood, M Otani, SE Baker, ... The Journal of Physical Chemistry Letters 11 (10), 4113-4118, 2020 | 68 | 2020 |
Chemical Modifications of Ag Catalyst Surfaces with Imidazolium Ionomers Modulate H2 Evolution Rates during Electrochemical CO2 Reduction DM Koshy, SA Akhade, A Shugar, K Abiose, J Shi, S Liang, JS Oakdale, ... Journal of the American Chemical Society 143 (36), 14712-14725, 2021 | 53 | 2021 |
Quantum–continuum simulation of underpotential deposition at electrified metal–solution interfaces SE Weitzner, I Dabo npj Computational Materials 3 (1), 2017 | 27 | 2017 |
Efficient and interpretable graph network representation for angle-dependent properties applied to optical spectroscopy T Hsu, TA Pham, N Keilbart, S Weitzner, J Chapman, P Xiao, SR Qiu, ... npj Computational Materials 8 (1), 151, 2022 | 19 | 2022 |
Voltage-dependent cluster expansion for electrified solid-liquid interfaces: Application to the electrochemical deposition of transition metals SE Weitzner, I Dabo Physical Review B 96 (20), 205134, 2017 | 19 | 2017 |
Evaluating the stability and activity of dilute Cu-based alloys for electrochemical CO2 reduction SE Weitzner, SA Akhade, AR Kashi, Z Qi, AK Buckley, Z Huo, S Ma, ... The Journal of Chemical Physics 155 (11), 2021 | 17 | 2021 |
Electrolyte-guided design of electroreductive CO coupling on copper surfaces SA Akhade, BS Jayathilake, SE Weitzner, HV Eshelman, J Hamilton, ... ACS Applied Energy Materials 4 (8), 8201-8210, 2021 | 12 | 2021 |
Unraveling local structures of Salt-in-Water and Water-in-Salt electrolytes via ab initio molecular dynamics T Malaspina, G Colherinhas, SE Weitzner, BC Wood, EE Fileti Journal of Molecular Liquids 383, 122097, 2023 | 11 | 2023 |
Beyond thermodynamics: Assessing the dynamical softness of hydrated ions from first principles SE Weitzner, TA Pham, CA Orme, SR Qiu, BC Wood The Journal of Physical Chemistry Letters 12 (49), 11980-11986, 2021 | 11 | 2021 |
Metal dissolution from first principles: Potential-dependent kinetics and charge transfer S Sharma, A Zagalskaya, SE Weitzner, L Eggart, S Cho, T Hsu, X Chen, ... Electrochimica Acta 437, 141443, 2023 | 8 | 2023 |
Surface Engineering of Copper Catalyst through CO* Adsorbate H Yu, SE Weitzner, JB Varley, BC Wood, SA Akhade The Journal of Physical Chemistry C 127 (4), 1789-1797, 2023 | 7 | 2023 |
Voltage effects on the stability of Pd ensembles in Pd–Au/Au(111) surface alloys SE Weitzner, I Dabo The Journal of Chemical Physics 150 (4), 041715, 2018 | 6 | 2018 |
Ab Initio Dynamics of Graphene and Graphyne Electrodes in Vacuum and in the Presence of Electrolytes T Malaspina, G Colherinhas, SE Weitzner, BC Wood, EE Fileti The Journal of Physical Chemistry C 127 (13), 6515-6523, 2023 | 4 | 2023 |
Theory-augmented informatics of ionic liquid electrolytes for co-design with nanoporous electrode materials SE Weitzner, TA Pham, ER Meshot Nanoscale 14 (13), 4922-4928, 2022 | 4 | 2022 |
Efficient, interpretable atomistic graph neural network representation for angle-dependent properties and its application to optical spectroscopy prediction T Hsu, N Keilbart, S Weitzner, J Chapman, P Xiao, TA Pham, SR Qiu, ... arXiv e-prints, arXiv: 2109.11576, 2021 | 4 | 2021 |
Model for humidity-mediated diffusion on aluminum surfaces and its role in accelerating atmospheric aluminum corrosion JA Scher, SE Weitzner, Y Hao, TW Heo, ST Castonguay, S Aubry, ... ACS Applied Materials & Interfaces 15 (23), 28716-28730, 2023 | 3 | 2023 |
Theoretical Investigation of the Adsorbate and Potential‐Induced Stability of Cu Facets During Electrochemical CO2 and CO Reduction H Yu, N Govindarajan, SE Weitzner, RF Serra‐Maia, SA Akhade, ... ChemPhysChem 25 (10), e202300959, 2024 | 2 | 2024 |
A Hybrid Quantum–Classical Study of Ion Adsorption at the Copper Electrode JJ Karnes, SE Weitzner, SA Akhade, SE Baker, EB Duoss, JB Varley The Journal of Physical Chemistry C 126 (30), 12413-12423, 2022 | 2 | 2022 |
Efficient, interpretable graph neural network representation for angle-dependent properties and its application to optical spectroscopy T Hsu, TA Pham, N Keilbart, S Weitzner, J Chapman, P Xiao, SR Qiu, ... arXiv preprint arXiv:2109.11576, 2021 | 2 | 2021 |