Editorial: Interfacial Structures and Their Properties

por Paier, Joachim, Broqvist, Peter, Lin, Xiaohang
Publicado 2021

Lignin Intermediates on Palladium: Insights into Keto‐Enol Tautomerization from Theoretical Modelling

por de Andrade, Ageo Meier, Srifa, Pemikar, Broqvist, Peter, Hermansson, Kersti
Publicado 2020

Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacancies

por Beinik, Igor, Hellström, Matti, Jensen, Thomas N., Broqvist, Peter, Lauritsen, Jeppe V.
Publicado 2015

Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

por Kim, Byung-Hyun, Kullgren, Jolla, Wolf, Matthew J., Hermansson, Kersti, Broqvist, Peter
Publicado 2019

Curvature Constrained Splines for DFTB Repulsive Potential Parametrization

por Ammothum Kandy, Akshay Krishna, Wadbro, Eddie, Aradi, Bálint, Broqvist, Peter, Kullgren, Jolla
Publicado 2021

An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO–Water System

por Hellström, Matti, Jorner, Kjell, Bryngelsson, Maria, Huber, Stefan E., Kullgren, Jolla, Frauenheim, Thomas, Broqvist, Peter
Publicado 2013

Phonon-Assisted Hot Carrier Generation in Plasmonic Semiconductor Systems

por Hattori, Yocefu, Meng, Jie, Zheng, Kaibo, Meier de Andrade, Ageo, Kullgren, Jolla, Broqvist, Peter, Nordlander, Peter, Sá, Jacinto
Publicado 2021