Peter Broqvist
Peter Broqvist
Senior Lecturer, Uppsala University
Verifierad e-postadress på kemi.uu.se - Startsida
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Defect energy levels in density functional calculations: Alignment and band gap problem
A Alkauskas, P Broqvist, A Pasquarello
Physical review letters 101 (4), 046405, 2008
2722008
Defect levels through hybrid density functionals: Insights and applications
A Alkauskas, P Broqvist, A Pasquarello
physica status solidi (b) 248 (4), 775-789, 2011
2492011
Oxygen vacancy in monoclinic : A consistent interpretation of trap assisted conduction, direct electron injection, and optical absorption experiments
P Broqvist, A Pasquarello
Applied physics letters 89 (26), 262904, 2006
2242006
Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations
A Alkauskas, P Broqvist, F Devynck, A Pasquarello
Physical review letters 101 (10), 106802, 2008
2232008
A DFT study on CO oxidation over Co3O4
P Broqvist, I Panas, H Persson
Journal of Catalysis 210 (1), 198-206, 2002
1812002
Defect levels of dangling bonds in silicon and germanium through hybrid functionals
P Broqvist, A Alkauskas, A Pasquarello
Physical Review B 78 (7), 075203, 2008
1592008
NO x storage on BaO (100) surface from first principles: a two channel scenario
P Broqvist, I Panas, E Fridell, H Persson
The Journal of Physical Chemistry B 106 (1), 137-145, 2002
1302002
Migration of oxygen vacancy in and across the interface: A first-principles investigation
N Capron, P Broqvist, A Pasquarello
Applied Physics Letters 91 (19), 192905, 2007
1282007
Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term
HP Komsa, P Broqvist, A Pasquarello
Physical Review B 81 (20), 205118, 2010
1212010
NOx storage on BaO: theory and experiment
P Broqvist, H Grönbeck, E Fridell, I Panas
Catalysis Today 96 (1-2), 71-78, 2004
1162004
Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels
P Broqvist, A Alkauskas, A Pasquarello
Physical Review B 80 (8), 085114, 2009
932009
Surface properties of alkaline earth metal oxides
P Broqvist, H Grönbeck, I Panas
Surface science 554 (2-3), 262-271, 2004
922004
Characterization of NOx Species Adsorbed on BaO:  Experiment and Theory
P Broqvist, H Grönbeck, E Fridell, I Panas
The Journal of Physical Chemistry B 108 (11), 3523-3530, 2004
892004
Bismuth iodide perovskite materials for solar cell applications: electronic structure, optical transitions, and directional charge transport
M Pazoki, MB Johansson, H Zhu, P Broqvist, T Edvinsson, G Boschloo, ...
The Journal of Physical Chemistry C 120 (51), 29039-29046, 2016
812016
Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO 2 interface through hybrid functionals
F Devynck, A Alkauskas, P Broqvist, A Pasquarello
Physical Review B 84 (23), 235320, 2011
812011
Promoting and poisoning effects of Na and Cl coadsorption on CO oxidation over MgO-supported Au nanoparticles
P Broqvist, LM Molina, H Grönbeck, B Hammer
Journal of Catalysis 227 (1), 217-226, 2004
732004
Structural and electronic properties of an abrupt 4 H− SiC (0001)∕ SiO 2 interface model: Classical molecular dynamics simulations and density functional calculations
F Devynck, F Giustino, P Broqvist, A Pasquarello
Physical Review B 76 (7), 075351, 2007
682007
Comparison of the bonding in Au 8 and Cu 8: A density functional theory study
H Grönbeck, P Broqvist
Physical Review B 71 (7), 073408, 2005
682005
Band offsets at the interface through hybrid density functionals
P Broqvist, JF Binder, A Pasquarello
Applied Physics Letters 94 (14), 141911, 2009
672009
Band alignments and defect levels in gate stacks: Oxygen vacancy and Fermi-level pinning
P Broqvist, A Alkauskas, A Pasquarello
Applied Physics Letters 92 (13), 132911, 2008
652008
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Artiklar 1–20