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Nico Holmberg
Nico Holmberg
PhD Research Scientist (Computational Quantum Chemistry), Aalto University
Adresse e-mail validée de aalto.fi - Page d'accueil
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CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 2020
17262020
Electrochemical activation of single-walled carbon nanotubes with pseudo-atomic-scale platinum for the hydrogen evolution reaction
M Tavakkoli, N Holmberg, R Kronberg, H Jiang, J Sainio, EI Kauppinen, ...
Acs Catalysis 7 (5), 3121-3130, 2017
2952017
Hydrogen adsorption on MoS 2-surfaces: A DFT study on preferential sites and the effect of sulfur and hydrogen coverage
R Kronberg, M Hakala, N Holmberg, K Laasonen
Physical Chemistry Chemical Physics 19 (24), 16231-16241, 2017
722017
Ab Initio Electrochemistry: Exploring the Hydrogen Evolution Reaction on Carbon Nanotubes
N Holmberg, K Laasonen
The Journal of Physical Chemistry C 119 (28), 16166-16178, 2015
562015
Charge distribution and Fermi level in bimetallic nanoparticles
N Holmberg, K Laasonen, P Peljo
Physical Chemistry Chemical Physics 18 (4), 2924-2931, 2016
512016
Efficient constrained density functional theory implementation for simulation of condensed phase electron transfer reactions
N Holmberg, K Laasonen
Journal of Chemical Theory and Computation 13 (2), 587-601, 2017
492017
Theoretical insight into the Hydrogen evolution activity of open-ended carbon nanotubes
N Holmberg, K Laasonen
The journal of physical chemistry letters 6 (19), 3956-3960, 2015
392015
Ab initio kinetic Monte Carlo simulations of dissolution at the NaCl–water interface
JC Chen, B Reischl, P Spijker, N Holmberg, K Laasonen, AS Foster
Physical Chemistry Chemical Physics 16 (41), 22545-22554, 2014
332014
Dissolution of NaCl nanocrystals: An ab initio molecular dynamics study
N Holmberg, JC Chen, AS Foster, K Laasonen
Physical Chemistry Chemical Physics 16 (33), 17437-17446, 2014
312014
Molecular resolution of the water interface at an alkali halide with terraces and steps
F Ito, K Kobayashi, P Spijker, L Zivanovic, K Umeda, T Nurmi, N Holmberg, ...
The Journal of Physical Chemistry C 120 (35), 19714-19722, 2016
232016
Ion Transport through a Water–Organic Solvent Liquid–Liquid Interface: A Simulation Study
N Holmberg, M Sammalkorpi, K Laasonen
The Journal of Physical Chemistry B 118 (22), 5957-5970, 2014
202014
Diabatic model for electrochemical hydrogen evolution based on constrained DFT configuration interaction
N Holmberg, K Laasonen
The Journal of Chemical Physics 149 (10), 2018
132018
CP2K
TD Kuehne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
American Institute of Physics, 2020
2020
Hydrogen Evolution Reaction on Carbon Nanotubes: Insights from Electronic Structure Theory
N Holmberg
Aalto University, 2018
2018
Tiheysfunktionaaliteoreettinen tutkimus vedynkehitysreaktiosta typpidoupatulla hiilinanoputkella
N Holmberg
2014
Heterogeenisen pintakatalyysin suunnittelu laskennallisesti
N Holmberg
2012
Ab initio molecular dynamics simulation of the platinum/water interface: Further insights into structure and electrocatalysis
R Kronberg, N Holmberg, K Laasonen
Molecular level modelling of electrochemical reactions
K Laasonen, N Holmberg, R Kronberg, G Murdachaew, M Hakala, ...
Constrained DFT and its applications in electrochemistry
N Holmberg, K Laasonen
Supporting information for: Charge Distribution and Fermi Level in Bimetallic Nanoparticles
N Holmberg, K Laasonen, P Peljo
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