دنبال کردن
Peter Broqvist
Peter Broqvist
Senior Lecturer, Uppsala University
ایمیل تأیید شده در kemi.uu.se - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
3562008
Defect levels through hybrid density functionals: Insights and applications‏
A Alkauskas, P Broqvist, A Pasquarello‏
physica status solidi (b) 248 (4), 775-789, 2011‏
3252011
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
2722008
Oxygen vacancy in monoclinic HfO2: A consistent interpretation of trap assisted conduction, direct electron injection, and optical absorption experiments‏
P Broqvist, A Pasquarello‏
Applied physics letters 89 (26), 2006‏
2642006
A DFT study on CO oxidation over Co3O4‏
P Broqvist, I Panas, H Persson‏
Journal of Catalysis 210 (1), 198-206, 2002‏
2122002
Defect levels of dangling bonds in silicon and germanium through hybrid functionals‏
P Broqvist, A Alkauskas, A Pasquarello‏
Physical Review B—Condensed Matter and Materials Physics 78 (7), 075203, 2008‏
1802008
Migration of oxygen vacancy in HfO2 and across the HfO2∕ SiO2 interface: A first-principles investigation‏
N Capron, P Broqvist, A Pasquarello‏
Applied Physics Letters 91 (19), 2007‏
1702007
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
1592016
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—Condensed Matter and Materials Physics 81 (20), 205118, 2010‏
1492010
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
1422002
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—Condensed Matter and Materials Physics 80 (8), 085114, 2009‏
1352009
NOx storage on BaO: theory and experiment‏
P Broqvist, H Grönbeck, E Fridell, I Panas‏
Catalysis Today 96 (1-2), 71-78, 2004‏
1322004
Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO interface through hybrid functionals‏
F Devynck, A Alkauskas, P Broqvist, A Pasquarello‏
Physical Review B—Condensed Matter and Materials Physics 84 (23), 235320, 2011‏
1132011
Surface properties of alkaline earth metal oxides‏
P Broqvist, H Grönbeck, I Panas‏
Surface science 554 (2-3), 262-271, 2004‏
1092004
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
992004
Structural and electronic properties of an abrupt interface model: Classical molecular dynamics simulations and density functional calculations‏
F Devynck, F Giustino, P Broqvist, A Pasquarello‏
Physical Review B—Condensed Matter and Materials Physics 76 (7), 075351, 2007‏
872007
Initial steps in PEO decomposition on a Li metal electrode‏
A Mirsakiyeva, M Ebadi, CM Araujo, D Brandell, P Broqvist, J Kullgren‏
The Journal of Physical Chemistry C 123 (37), 22851-22857, 2019‏
842019
Band offsets at the Ge/GeO2 interface through hybrid density functionals‏
P Broqvist, JF Binder, A Pasquarello‏
Applied Physics Letters 94 (14), 2009‏
792009
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
792004
Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacancies‏
I Beinik, M Hellström, TN Jensen, P Broqvist, JV Lauritsen‏
Nature Communications 6 (1), 8845, 2015‏
742015
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مقاله‌ها 1–20