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The Journal of Physical Chemistry Letters
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August 19, 2015
Supercharged Low-Temperature Oxygen Storage Capacity of Ceria at the Nanoscale
Jolla Kullgren, Kersti Hermansson, Peter Broqvist
The Journal of Physical Chemistry. B
|
July 21, 2006
The nature of NOx species on BaO(100): an ab initio molecular dynamics study
Peter Broqvist, Itai Panas, Henrik Grönbeck
The Journal of Physical Chemistry. B
|
July 21, 2006
Toward a realistic description of NO(x) storage in BaO: the aspect of BaCO3
Peter Broqvist, Itai Panas, Henrik Grönbeck
Physical Review Letters
|
September 4, 2008
Defect energy levels in density functional calculations: alignment and band gap problem
Audrius Alkauskas, Peter Broqvist, Alfredo Pasquarello
Frontiers in Chemistry
|
December 24, 2021
Editorial: Interfacial Structures and Their Properties
Joachim Paier, Peter Broqvist, Xiaohang Lin
Journal of Chemical Theory and Computation
|
November 20, 2015
Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case Study
Matti Hellström, Daniel Spångberg, Kersti Hermansson, et al.
Physical Review Letters
|
October 15, 2008
Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations
Audrius Alkauskas, Peter Broqvist, Fabien Devynck, et al.
The Journal of Chemical Physics
|
February 3, 2017
Fluorine impurities at CeO<sub>2</sub>(111): Effects on oxygen vacancy formation, molecular adsorption, and surface re-oxidation
Matthew J Wolf, Jolla Kullgren, Peter Broqvist, et al.
The Journal of Chemical Physics
|
March 16, 2020
The water/ceria(111) interface: Computational overview and new structures
Andreas Röckert, Jolla Kullgren, Peter Broqvist, et al.
Chemsuschem
|
September 4, 2020
Lignin Intermediates on Palladium: Insights into Keto-Enol Tautomerization from Theoretical Modelling
Ageo Meier de Andrade, Pemikar Srifa, Peter Broqvist, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry Letters
|
August 19, 2015
Supercharged Low-Temperature Oxygen Storage Capacity of Ceria at the Nanoscale
Jolla Kullgren, Kersti Hermansson, Peter Broqvist
The Journal of Physical Chemistry. B
|
July 21, 2006
The nature of NOx species on BaO(100): an ab initio molecular dynamics study
Peter Broqvist, Itai Panas, Henrik Grönbeck
The Journal of Physical Chemistry. B
|
July 21, 2006
Toward a realistic description of NO(x) storage in BaO: the aspect of BaCO3
Peter Broqvist, Itai Panas, Henrik Grönbeck
Physical Review Letters
|
September 4, 2008
Defect energy levels in density functional calculations: alignment and band gap problem
Audrius Alkauskas, Peter Broqvist, Alfredo Pasquarello
Frontiers in Chemistry
|
December 24, 2021
Editorial: Interfacial Structures and Their Properties
Joachim Paier, Peter Broqvist, Xiaohang Lin
Journal of Chemical Theory and Computation
|
November 20, 2015
Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case Study
Matti Hellström, Daniel Spångberg, Kersti Hermansson, et al.
Physical Review Letters
|
October 15, 2008
Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations
Audrius Alkauskas, Peter Broqvist, Fabien Devynck, et al.
The Journal of Chemical Physics
|
February 3, 2017
Fluorine impurities at CeO<sub>2</sub>(111): Effects on oxygen vacancy formation, molecular adsorption, and surface re-oxidation
Matthew J Wolf, Jolla Kullgren, Peter Broqvist, et al.
The Journal of Chemical Physics
|
March 16, 2020
The water/ceria(111) interface: Computational overview and new structures
Andreas Röckert, Jolla Kullgren, Peter Broqvist, et al.
Chemsuschem
|
September 4, 2020
Lignin Intermediates on Palladium: Insights into Keto-Enol Tautomerization from Theoretical Modelling
Ageo Meier de Andrade, Pemikar Srifa, Peter Broqvist, et al.
Page
of 3