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Catalysis

Working Paper

Benchmarking water adsorption on metal surfaces with ab-initio molecular dynamics

Mianle Xu, Sihang Liu, Sudarshan Vijay, Thomas Bligaard, Georg Kastlunger

Version 1 posted 27 February 2024

452

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Physical Chemistry

Review

Electric fields at solid-liquid interfaces: Insights from molecular dynamics simulation

Julia Nauman, Dylan Suvlu, Adam Willard

Version 1 posted 29 July 2024

312

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Materials Science

Working Paper

Stability of Zeolitic-imidazolate Frameworks in Humid Environments: Disentangling the Roles of Confined vs. Surface Water

Mohammad R. Momeni, Farnaz A. Shakib

Version 1 posted 14 September 2020

388

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Physical Chemistry

Working Paper

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Marko Melander, Mikael Kuisma, Thorbjørn Christensen, Karoliina Honkala

Version 2 posted 04 September 2018

1,757

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Physical Chemistry

Working Paper

Solvation enthalpy determination for aqueous-phase reaction adsorbates from first principles ab initio molecular dynamics

Hee-Joon Chun, Ankita Morankar, Zhenhua Zeng, Jeffrey Greeley

Version 1 posted 17 May 2023

323

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Materials Science

Working Paper

Into the Facet-Selectivity of Sequenced Amphiphilic Peptoids at the Au-Water Interface

Xin Qi, Biao Jin, Bin Cai, Feng Yan, James De Yoreo, Chun-Long Chen, Jim Pfaendtner

Version 1 posted 13 October 2021

348

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Physical Chemistry

Working Paper

Generation and Transfer of Triplet Electron Spin Polarization at Solid-Liquid Interface

Reiya Yabuki, Koki Nishimura, Tomoyuki Hamachi, Naoto Matsumoto, Nobuhiro Yanai

Version 1 posted 07 March 2023

335

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Nanoscience

Working Paper

Confined Pulsed Diffuse Layer Charging for Nanoscale Electrodeposition with an STM

Mark Aarts, Alain Reiser, Ralph Spolenak, Esther Alarcon-Llado

Version 1 posted 11 October 2021

196

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Catalysis

Working Paper

Unveiling nanoscale heterogeneities at the bias-dependent Gold-Electrolyte Interface

Leo Sahaya Daphne Antony, Loriane Monin, Mark Aarts, Esther Alarcon Llado

Version 2 posted 25 October 2023

313

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9 results in Solid-liquid interface in Keywords: Solid-liquid interface

Benchmarking water adsorption on metal surfaces with ab-initio molecular dynamics

Electric fields at solid-liquid interfaces: Insights from molecular dynamics simulation

Stability of Zeolitic-imidazolate Frameworks in Humid Environments: Disentangling the Roles of Confined vs. Surface Water

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Solvation enthalpy determination for aqueous-phase reaction adsorbates from first principles ab initio molecular dynamics

Into the Facet-Selectivity of Sequenced Amphiphilic Peptoids at the Au-Water Interface

Generation and Transfer of Triplet Electron Spin Polarization at Solid-Liquid Interface

Confined Pulsed Diffuse Layer Charging for Nanoscale Electrodeposition with an STM

Unveiling nanoscale heterogeneities at the bias-dependent Gold-Electrolyte Interface

9 results in Keywords: Solid-liquid interface