Stephan Steinmann
Stephan Steinmann
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Layer-Dependent Electrocatalysis of MoS2 for Hydrogen Evolution
Y Yu, SY Huang, Y Li, SN Steinmann, W Yang, L Cao
Nano letters 14 (2), 553-558, 2014
Implicit self-consistent electrolyte model in plane-wave density-functional theory
K Mathew, VSC Kolluru, S Mula, SN Steinmann, RG Hennig
The Journal of Chemical Physics 151 (23), 234101, 2019
Comprehensive benchmarking of a density-dependent dispersion correction
SN Steinmann, C Corminboeuf
Journal of Chemical Theory and Computation 7 (11), 3567-3577, 2011
A generalized-gradient approximation exchange hole model for dispersion coefficients
SN Steinmann, C Corminboeuf
The Journal of chemical physics 134 (4), 044117, 2011
Molecular adsorption at Pt (111). How accurate are DFT functionals?
S Gautier, SN Steinmann, C Michel, P Fleurat-Lessard, P Sautet
Physical Chemistry Chemical Physics 17 (43), 28921-28930, 2015
Theory-guided materials design: two-dimensional MXenes in electro-and photocatalysis
AD Handoko, SN Steinmann, ZW Seh
Nanoscale Horizons 4 (4), 809-827, 2019
Why are the interaction energies of charge-transfer complexes challenging for DFT?
SN Steinmann, C Piemontesi, A Delachat, C Corminboeuf
Journal of chemical theory and computation 8 (5), 1629-1640, 2012
A system-dependent density-based dispersion correction
SN Steinmann, C Corminboeuf
Journal of chemical theory and computation 6 (7), 1990-2001, 2010
Quantification of “fuzzy” chemical concepts: a computational perspective
JF Gonthier, SN Steinmann, MD Wodrich, C Corminboeuf
Chemical Society Reviews 41 (13), 4671-4687, 2012
Ethanol Electro-oxidation on Palladium Revisited Using Polarization Modulation Infrared Reflection Absorption Spectroscopy (PM-IRRAS) and Density Functional Theory (DFT): Why …
EA Monyoncho, SN Steinmann, C Michel, EA Baranova, TK Woo, ...
ACS Catalysis 6 (8), 4894-4906, 2016
Relationship between carbon nitride structure and exciton binding energies: A DFT perspective
S Melissen, T Le Bahers, SN Steinmann, P Sautet
The Journal of Physical Chemistry C 119 (45), 25188-25196, 2015
Impacts of electrode potentials and solvents on the electroreduction of CO 2: a comparison of theoretical approaches
SN Steinmann, C Michel, R Schwiedernoch, P Sautet
Physical Chemistry Chemical Physics 17 (21), 13949-13963, 2015
How do electron localization functions describe π-electron delocalization?
SN Steinmann, Y Mo, C Corminboeuf
Physical Chemistry Chemical Physics 13 (46), 20584-20592, 2011
Hierarchically structured microfibers of “single stack” perylene bisimide and quaterthiophene nanowires
R Marty, R Szilluweit, A Sánchez-Ferrer, S Bolisetty, J Adamcik, ...
ACS nano 7 (10), 8498-8508, 2013
Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models
SN Steinmann, P Sautet, C Michel
Physical Chemistry Chemical Physics 18 (46), 31850-31861, 2016
Unified inter-and intramolecular dispersion correction formula for generalized gradient approximation density functional theory
SN Steinmann, G Csonka, C Corminboeuf
Journal of chemical theory and computation 5 (11), 2950-2958, 2009
Assessing a first-principles model of an electrochemical interface by comparison with experiment
SN Steinmann, P Sautet
The Journal of Physical Chemistry C 120 (10), 5619-5623, 2016
Atomistic modeling of electrocatalysis: Are we there yet?
N Abidi, KRG Lim, ZW Seh, SN Steinmann
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (3), e1499, 2021
Key Role of Anionic Doping for H2 Production from Formic Acid on Pd(111)
P Wang, SN Steinmann, G Fu, C Michel, P Sautet
ACS Catalysis 7 (3), 1955-1959, 2017
Evaluating the Risk of C–C Bond Formation during Selective Hydrogenation of Acetylene on Palladium
E Vignola, SN Steinmann, A Al Farra, BD Vandegehuchte, D Curulla, ...
ACS Catalysis 8 (3), 1662-1671, 2018
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