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Sneha Anil Akhade - Publications

Affiliations: 
Chemical Engineering Pennsylvania State University, State College, PA, United States 
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23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Yu H, Govindarajan N, Weitzner SE, Serra-Maia R, Akhade SA, Varley JB. Theoretical investigation of the adsorbate and potential-induced stability of Cu facets during electrochemical CO2 and CO reduction. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300959. PMID 38409629 DOI: 10.1002/cphc.202300959  0.395
2020 Akhade SA, Singh N, Gutiérrez OY, Lopez-Ruiz J, Wang H, Holladay JD, Liu Y, Karkamkar A, Weber RS, Padmaperuma AB, Lee MS, Whyatt GA, Elliott M, Holladay JE, Male JL, et al. Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review. Chemical Reviews. PMID 32941005 DOI: 10.1021/Acs.Chemrev.0C00158  0.357
2020 Yang G, Akhade SA, Chen X, Liu Y, Lee MS, Glezakou VA, Rousseau R, Lercher JA. Corrigendum: The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase. Angewandte Chemie (International Ed. in English). 59: 13149. PMID 32735085 DOI: 10.1002/Anie.202005474  0.372
2020 Weitzner SE, Akhade SA, Varley JB, Wood BC, Duoss EB, Baker SE, Otani M. Towards Engineering of Solution Microenvironments for the CO Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional-Continuum Theory. The Journal of Physical Chemistry Letters. PMID 32343146 DOI: 10.1021/Acs.Jpclett.0C00957  0.429
2020 Yuk SF, Lee MS, Akhade SA, Nguyen MT, Glezakou VA, Rousseau R. First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals Catalysis Today. DOI: 10.1016/J.Cattod.2020.07.039  0.484
2020 Nguyen M, Akhade SA, Cantu DC, Lee M, Glezakou V, Rousseau R. Electro-reduction of organics on metal cathodes: A multiscale-modeling study of benzaldehyde on Au (111) Catalysis Today. 350: 39-46. DOI: 10.1016/J.Cattod.2019.05.067  0.401
2020 Yang G, Akhade SA, Chen X, Liu Y, Lee M, Glezakou V, Rousseau R, Lercher JA. Berichtigung: The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase Angewandte Chemie. 132: 13249-13249. DOI: 10.1002/Ange.202005474  0.372
2019 Lopez-Ruiz JA, Andrews E, Akhade SA, Lee M, Koh K, Sanyal U, Yuk SF, Karkamkar AJ, Derewinski MA, Holladay J, Glezakou V, Rousseau R, Gutiérrez OY, Holladay JD. Understanding the Role of Metal and Molecular Structure on the Electrocatalytic Hydrogenation of Oxygenated Organic Compounds Acs Catalysis. 9: 9964-9972. DOI: 10.1021/Acscatal.9B02921  0.396
2018 Yang G, Akhade SA, Chen X, Liu Y, Lee MS, Glezakou VA, Rousseau R, Lercher J. Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase. Angewandte Chemie (International Ed. in English). PMID 30556940 DOI: 10.1002/Anie.201813958  0.466
2018 Singh N, Lee M, Akhade SA, Cheng G, Camaioni DM, Gutiérrez OY, Glezakou V, Rousseau R, Lercher JA, Campbell CT. Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh Acs Catalysis. 9: 1120-1128. DOI: 10.1021/Acscatal.8B04039  0.451
2018 Cantu DC, Padmaperuma AB, Nguyen M, Akhade SA, Yoon Y, Wang Y, Lee M, Glezakou V, Rousseau R, Lilga MA. A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes Acs Catalysis. 8: 7645-7658. DOI: 10.1021/Acscatal.8B00858  0.392
2018 Akhade SA, Nidzyn RM, Rostamikia G, Janik MJ. Using Brønsted-Evans-Polanyi relations to predict electrode potential-dependent activation energies Catalysis Today. 312: 82-91. DOI: 10.1016/J.Cattod.2018.03.048  0.679
2017 Liang T, Antony AC, Akhade SA, Janik MJ, Sinnott SB. Applied Potentials in Variable Charge Reactive Force Fields for Electrochemical Systems. The Journal of Physical Chemistry. A. PMID 29257690 DOI: 10.1021/Acs.Jpca.7B06064  0.559
2017 Antony AC, Akhade SA, Lu Z, Liang T, Janik MJ, Phillpot SR, Sinnott SB. Charge optimized many body (COMB) potentials for Pt and Au. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 225901. PMID 28452343 DOI: 10.1088/1361-648X/Aa6D43  0.573
2017 Akhade SA, Bernstein NJ, Esopi MR, Regula MJ, Janik MJ. A simple method to approximate electrode potential-dependent activation energies using density functional theory Catalysis Today. 288: 63-73. DOI: 10.1016/J.Cattod.2017.01.050  0.649
2016 Antony AC, Liang T, Akhade SA, Janik MJ, Phillpot SR, Sinnott SB. Effect of surface chemistry on water interaction with Cu(111). Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27442055 DOI: 10.1021/Acs.Langmuir.6B01974  0.578
2016 Akhade SA, McCrum IT, Janik MJ. The impact of specifically adsorbed ions on the copper-catalyzed electroreduction of CO2 Journal of the Electrochemical Society. 163: F477-F484. DOI: 10.1149/2.0581606Jes  0.722
2016 Akhade SA, Luo W, Nie X, Asthagiri A, Janik MJ. Theoretical insight on reactivity trends in CO2 electroreduction across transition metals Catalysis Science and Technology. 6: 1042-1053. DOI: 10.1039/C5Cy01339A  0.623
2015 Antony AC, Akhade SA, Liang T, Janik MJ, Maranas JM, Sinnott SB. Simulating an applied voltage in molecular dynamics using charge optimized many body (COMB3) potential Ecs Transactions. 69: 103-105. DOI: 10.1149/06901.0103ecst  0.449
2015 McCrum IT, Akhade SA, Janik MJ. Electrochemical specific adsorption of halides on Cu 111,100, and 211: A density functional theory study Electrochimica Acta. 173: 302-309. DOI: 10.1016/J.Electacta.2015.05.036  0.707
2014 Akhade SA, Luo W, Nie X, Bernstein NJ, Asthagiri A, Janik MJ. Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals. Physical Chemistry Chemical Physics : Pccp. 16: 20429-35. PMID 25165989 DOI: 10.1039/C4Cp03340J  0.672
2014 Bernstein NJ, Akhade SA, Janik MJ. Density functional theory study of carbon dioxide electrochemical reduction on the Fe(100) surface. Physical Chemistry Chemical Physics : Pccp. 16: 13708-17. PMID 24722651 DOI: 10.1039/C4Cp00266K  0.613
2012 Akhade SA, Kitchin JR. Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces. The Journal of Chemical Physics. 137: 084703. PMID 22938255 DOI: 10.1063/1.4746117  0.374
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