S. Sakong

发表

Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer

Axel Groß, Florian Gossenberger, T. Roman, 2015 .

Anisotropic ferromagnetism in carbon-doped zinc oxide from first-principles studies

P. Entel, P. Kratzer, S. K. Nayak, 2012, 1205.5830.

Hydrogen vibrational modes on graphene and relaxation of the C-H stretch excitation from first-principles calculations.

P. Kratzer, S. Sakong, 2010, The Journal of chemical physics.

Kinetic Monte Carlo simulations of the partial oxidation of methanol on oxygen-covered Cu(110)

A. Gross, S. Sakong, C. Sendner, 2006 .

Total oxidation of methanol on Cu(110): a density functional theory study.

A. Gross, S. Sakong, 2007, The journal of physical chemistry. A.

1/ $f$ Noise Characteristics of Surface-Treated Normally-Off Al2O3/GaN MOSFETs

Jung-Hee Lee, Sanghyun Lee, Y. Jeong, 2015, IEEE Electron Device Letters.

Reaction energetics of hydrogen on Si(100) surface: A periodic many-electron theory study.

A. Gross, A. Grüneis, S. Sakong, 2018, The Journal of chemical physics.

Modelling the electric double layer at electrode/electrolyte interfaces

A. Gross, S. Sakong, 2019, Current Opinion in Electrochemistry.

Density functional study of carbon doping in ZnO

P. Kratzer, S. Sakong, 2010 .

As vacancies, Ga antisites, and Au impurities in zinc blende and wurtzite GaAs nanowire segments from first principles

P. Kratzer, S. Sakong, Y. Du, 2013, 1301.7339.

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

A. Gross, S. Sakong, David Mahlberg, 2021, Chemical Physics.

Density functional theory study of the partial oxidation of methanol on copper surfaces

A. Gross, S. Sakong, 2005 .

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

A. Gross, S. Sakong, Mengru Li, 2021, ACS Catalysis.

Partial oxidation of methanol on Cu(110): Energetics and kinetics

A. Gross, S. Sakong, C. Sendner, 2006 .

Methanol oxidation on oxygen covered Cu surfaces

S. Sakong, 2005 .

Density fluctuations as door-opener for diffusion on crowded surfaces

A. Gross, D. Lamb, J. Wintterlin, 2019, Science.

CO adsorption on Cu-Pd alloy surfaces: ligand versus ensemble effects.

Christian Mosch, A. Gross, Axel Gross, 2007, Physical chemistry chemical physics : PCCP.

The Dynamic Nature of CO Adlayers on Pt(111) Electrodes

A. Gross, O. Magnussen, Jie Wei, 2020, Angewandte Chemie.

The electric double layer at metal-water interfaces revisited based on a charge polarization scheme.

A. Gross, S. Sakong, 2018, The Journal of chemical physics.

Unoccupied electronic structure and momentum-dependent scattering dynamics in Pb/Si(557) nanowire arrays

P. Zhou, P. Kratzer, U. Bovensiepen, 2015 .

Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions.

A. Gross, S. Sakong, 2020, Physical chemistry chemical physics : PCCP.

Suppression of the outwards-dispersing branches in hour-glass magnetic spectra induced by nanoscale phase separation in La2−xSrxCoO4

Zhiwei Hu, S. Francoual, W. Schmidt, 2019, Physical review B.

Mode conversion and long-lived vibrational modes in lead monolayers on silicon (111) after femtosecond laser excitation: a molecular dynamics simulation

P. Kratzer, M. H. Hoegen, S. Wall, 2013 .

Ab Initio Simulations of Water/Metal Interfaces.

A. Gross, S. Sakong, 2022, Chemical reviews.

The Structure of the Electric Double Layer: Atomistic vs. Continuum Approaches

Jun Huang, A. Gross, M. Eikerling, 2022, Current Opinion in Electrochemistry.

The Importance of the Electrochemical Environment in the Electro-Oxidation of Methanol on Pt(111)

A. Gross, S. Sakong, 2016 .

Methanol Oxidation on Pt(111) from First-Principles in Heterogeneous and Electrocatalysis

A. Gross, S. Sakong, 2017, Electrocatalysis.

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

A. Gross, S. Sakong, Mengru Li, 2023, The journal of physical chemistry letters.

Improved DFT Adsorption Energies with Semiempirical Dispersion Corrections.

A. Gross, S. Sakong, David Mahlberg, 2019, Journal of chemical theory and computation.

Water Structures at Metal Electrodes Studied by Ab Initio Molecular Dynamics Simulations

Florian Gossenberger, T. Roman, A. Gross, 2014 .

Lowering energy barriers in surface reactions through concerted reaction mechanisms.

A. Gross, A. Lozano, H. F. Busnengo, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles.

A. Gross, S. Sakong, K. Forster-Tonigold, 2016, The Journal of chemical physics.

Catalytic role of gold nanoparticle in GaAs nanowire growth: a density functional theory study.

P. Kratzer, S. Sakong, V. Pankoke, 2012, Nano letters.

Isotope effects in the vibrational lifetime of hydrogen on germanium(100): theory and experiment.

E. Hasselbrink, P. Kratzer, S. Sakong, 2009, The Journal of chemical physics.

Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100).

E. Hasselbrink, P. Kratzer, O. Weingart, 2008, The Journal of chemical physics.

Isotopic effect on the vibrational lifetime of the carbon-deuterium stretch excitation on graphene.

P. Kratzer, S. Sakong, 2011, The Journal of chemical physics.

Electronic and Structural Differences between Wurtzite and Zinc Blende InAs Nanowire Surfaces: Experiment and Theory

E. Lundgren, A. Zakharov, K. Dick, 2014, ACS nano.

Quantum dynamics of the dissociation of H2 on Rh(111)

A. Gross, A. Dianat, S. Sakong, 2005 .

Calculation of the diameter-dependent polytypism in GaAs nanowires from an atomic motif expansion of the formation energy

P. Kratzer, S. Sakong, V. Pankoke, 2011 .

Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method.

A. Gross, R. Hennig, Maryam Naderian, 2015, The Journal of chemical physics.

Dissociative adsorption of hydrogen on strained Cu surfaces

A. Gross, S. Sakong, 2003 .

Magnetism in C- or N-doped MgO and ZnO: a density-functional study of impurity pairs.

M. Scheffler, A. Stroppa, Hua Wu, 2010, Physical review letters.

Influence of Local Inhomogeneities and the Electrochemical Environment on the Oxygen Reduction Reaction on Pt-Based Electrodes: A DFT Study

T. Roman, A. Gross, Mohnish Pandey, 2020 .

Diffusion of O Atoms on a CO-Covered Ru(0001) Surface─A Combined High-Speed Scanning Tunneling Microscopy and Density Functional Theory Study at an Enhanced CO Coverage

A. Gross, J. Wintterlin, A. Henß, 2023, The Journal of Physical Chemistry C.

Atomistic modeling of the Au droplet-GaAs interface for size-selective nanowire growth

P. Kratzer, S. Sakong, Y. Du, 2013 .

Comparison of density functionals for nitrogen impurities in ZnO.

P. Kratzer, S. Sakong, Johann Gutjahr, 2013, The Journal of chemical physics.

Influence of Step and Island Edges on Local Adsorption Properties: Hydrogen Adsorption on Pt Monolayer Island Modified Ru(0001) Electrodes

A. Gross, R. Behm, J. Fischer, 2017, Electrocatalysis.

Local density of states effects at the metal-molecule interfaces in a molecular device

H. Boyen, P. Ziemann, A. Gross, 2006, Nature materials.

Molecular Modeling of Water-in-Salt Electrolytes: A Comprehensive Analysis of Polarization Effects and Force Field Parameters in Molecular Dynamics Simulations.

A. Gross, M. Rezaei, S. Sakong, 2023, Journal of chemical theory and computation.

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

S. Sakong, Majid Rezaei, Axel Groß, 2024, ACS applied materials & interfaces.