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Catalysis

Working Paper

The role of surface stoichiometry in the activity of doped vanadia-based catalysts for the selective catalytic reduction

Mengru Li, Sung Sakong, Fabiola Dominguez-Flores, NaNa Ma, Axel Gross

Version 1 posted 29 December 2022

152

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Theoretical and Computational Chemistry

Working Paper

Construction of a Polarizable Force Field for Molecular Dynamics Simulation of a NaOTF Water-In-Salt Electrolyte

Majid Rezaei, Sung Sakong, Axel Gross

Version 1 posted 06 February 2023

407

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Theoretical and Computational Chemistry

Working Paper

Structure of PtRu/Ru(0001) and AgPd/Pd(111) surface alloys: A kinetic Monte Carlo study

David Mahlberg, Sung Sakong, Axel Gross

Version 1 posted 01 November 2021

259

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Catalysis

Working Paper

In Search of the Active Sites for the Selective Catalytic Reduction on Tungsten-Doped Vanadia Monolayer Catalysts supported by TiO2

Mengru Li, Sung Sakong, Axel Gross

Version 1 posted 05 April 2021

417

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Theoretical and Computational Chemistry

Working Paper

Comparing Ab Initio Molecular Dynamics and a Semiclassical Grand Canonical Scheme for the Electric Double Layer of the Pt(111)/Water Interface

Jun Huang, Yufan Zhang, Mengru Li, Axel Groß, Sung Sakong

Version 1 posted 21 February 2023

223

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Theoretical and Computational Chemistry

Working Paper

Sodium Triflate Water-in-Salt Electrolyte in Advanced Battery Applications: A First-principles Based Molecular Dynamics Study

Majid Rezaei, Sung Sakong, Axel Groß

Version 1 posted 25 January 2024

215

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Theoretical and Computational Chemistry

Working Paper

Surface, Interface, Compression and Formation Energies of Bimetallic Ag/Pt(111) and Ag/Pd(111) Surfaces from First Principles

Sung Sakong, Axel Groß, R. Jürgen Behm

Version 1 posted 23 April 2024

60

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Physical Chemistry

Working Paper

Metal–Water Interface Formation: Thermodynamics from Ab-Initio Molecular Dynamics Simulations

Fabiola Domínguez-Flores, Toni Kiljunen, Axel Groß, Sung Sakong, Marko M. Melander

Version 1 posted 24 May 2024

145

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8 results in Sung Sakong in Authors: Sung Sakong

The role of surface stoichiometry in the activity of doped vanadia-based catalysts for the selective catalytic reduction

Construction of a Polarizable Force Field for Molecular Dynamics Simulation of a NaOTF Water-In-Salt Electrolyte

Structure of PtRu/Ru(0001) and AgPd/Pd(111) surface alloys: A kinetic Monte Carlo study

In Search of the Active Sites for the Selective Catalytic Reduction on Tungsten-Doped Vanadia Monolayer Catalysts supported by TiO2

Comparing Ab Initio Molecular Dynamics and a Semiclassical Grand Canonical Scheme for the Electric Double Layer of the Pt(111)/Water Interface

Sodium Triflate Water-in-Salt Electrolyte in Advanced Battery Applications: A First-principles Based Molecular Dynamics Study

Surface, Interface, Compression and Formation Energies of Bimetallic Ag/Pt(111) and Ag/Pd(111) Surfaces from First Principles

Metal–Water Interface Formation: Thermodynamics from Ab-Initio Molecular Dynamics Simulations

8 results in Authors: Sung Sakong