APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session G45: Modeling the electrochemical interface and aqueous solutions II
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Sponsoring Units: DCOMP DCP
Chair: Luana Pedroza, Univ Federal do ABC
Room: 706
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G45.00001: First-principles electrochemistry with grand-canonical DFT and continuum-solvation methods
Invited Speaker:
Ravishankar Sundararaman
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G45.00002: The nanoscopic structure of Pt-water electrified interface under applied potential
Clotilde Cucinotta
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G45.00003: Probing electrochemical processes at surfaces and interfaces by a combination of ab-initio simulations and in-situ characterizations
Xueqiang Zhang, Tuan Anh Pham, Brandon Wood, David Prendergast, Sylwia Ptasinska, Tadashi Ogitsu
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G45.00004: Activating 2D materials for hydrogen evolution reaction (HER) by electron doping
Naiwrit Karmodak, Oliviero Andreussi
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G45.00005: Probing Pseudocapacitive response of MXene electrodes for energy storage from first principles
Francisco Marques dos Santos Vieira, Yasuaki Okada, Nathan D Keilbart, James Goff, Kosuke Shiratsuyu, Ismaila Dabo
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G45.00006: Understanding water/silicon carbide interfaces using first principle simulations
Filippo Savazzi, Giancarlo Cicero, Marco Govoni, Giulia Galli
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G45.00007: Continuum models to handle electrolyte solutions effects in first-principles simulations of materials
Oliviero Andreussi
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G45.00008: Engineering Trimetallic Core-shell Nanoclusters for CO2 Electro-reduction at Low Overpotentials
Rafia Ahmad
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G45.00009: Adsorption of small gas molecules on a single Pt atom supported by pristine graphene: diffusion Monte Carlo study
Jeonghwan Ahn, Iue gyun Hong, Hyeondeok Shin, Anouar Benali, Yongkyung Kwon
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G45.00010: Morphological stability of electrodeposition through a viscoelastic coating
Paul Rudnicki, Xian Kong, Jian Qin
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G45.00011: Field-Aware Interfaces in Continuum Solvation
Matthew Truscott, Oliviero Andreussi
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