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Maxim Shishkin
Maxim Shishkin
Geverifieerd e-mailadres voor kyoto-u.ac.jp
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Self-consistent calculations for semiconductors and insulators
M Shishkin, G Kresse
Physical Review B 75 (23), 235102, 2007
9502007
Implementation and performance of the frequency-dependent method within the PAW framework
M Shishkin, G Kresse
Physical Review B 74 (3), 035101, 2006
9022006
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
M Shishkin, M Marsman, G Kresse
Physical review letters 99 (24), 246403, 2007
7422007
Quasiparticle band structure based on a generalized Kohn-Sham scheme
F Fuchs, J Furthmüller, F Bechstedt, M Shishkin, G Kresse
Physical Review B 76 (11), 115109, 2007
5862007
Structure of the ultrathin aluminum oxide film on NiAl (110)
G Kresse, M Schmid, E Napetschnig, M Shishkin, L Kohler, P Varga
Science 308 (5727), 1440-1442, 2005
4082005
Oxygen-deficient line defects in an ultrathin aluminum oxide film
M Schmid, M Shishkin, G Kresse, E Napetschnig, P Varga, M Kulawik, ...
Physical review letters 97 (4), 046101, 2006
1342006
Oxidation of H2, CH4, and CO Molecules at the Interface between Nickel and Yttria-Stabilized Zirconia: A Theoretical Study Based on DFT
M Shishkin, T Ziegler
The Journal of Physical Chemistry C 113 (52), 21667-21678, 2009
1132009
The Oxidation of H2 and CH4 on an Oxygen-Enriched Yttria-Stabilized Zirconia Surface: A Theoretical Study Based on Density Functional Theory
M Shishkin, T Ziegler
The Journal of Physical Chemistry C 112 (49), 19662-19669, 2008
792008
Hydrogen oxidation at the Ni/yttria-stabilized zirconia interface: a study based on density functional theory
M Shishkin, T Ziegler
The Journal of Physical Chemistry C 114 (25), 11209-11214, 2010
752010
On the active surface state of nickel‐ceria solid oxide fuel cell anodes during methane electrooxidation
V Papaefthimiou, M Shishkin, DK Niakolas, M Athanasiou, YT Law, ...
Advanced Energy Materials 3 (6), 762-769, 2013
672013
The Electronic Structure and Chemical Properties of a Ni/CeO2 Anode in a Solid Oxide Fuel Cell: A DFT + U Study
M Shishkin, T Ziegler
The Journal of Physical Chemistry C 114 (49), 21411-21416, 2010
572010
Direct modeling of the electrochemistry in the three-phase boundary of solid oxide fuel cell anodes by density functional theory: a critical overview
M Shishkin, T Ziegler
Physical Chemistry Chemical Physics 16 (5), 1798-1808, 2014
392014
Self-consistent parametrization of DFT + framework using linear response approach: Application to evaluation of redox potentials of battery cathodes
M Shishkin, H Sato
Physical Review B 93 (8), 085135, 2016
352016
Coke-Tolerant Ni/BaCe1–xYxO3−δ Anodes for Solid Oxide Fuel Cells: DFT+U Study
M Shishkin, T Ziegler
The Journal of Physical Chemistry C 117 (14), 7086-7096, 2013
302013
Unraveling the Role of Doping in Selective Stabilization of NaMnO2 Polymorphs: Combined Theoretical and Experimental Study
M Shishkin, S Kumakura, S Sato, K Kubota, S Komaba, H Sato
Chemistry of Materials 30 (4), 1257-1264, 2018
222018
Structural, electronic, stability and reduction properties of perovskite surfaces: The case of rhombohedral BaCeO3
M Shishkin, T Ziegler
Surface science 606 (13-14), 1078-1087, 2012
222012
Planar self-interstitial in silicon
MM De Souza, CK Ngw, M Shishkin, EMS Narayanan
Physical review letters 83 (9), 1799, 1999
211999
Activation of H 2 oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditions
L Deleebeeck, M Shishkin, P Addo, S Paulson, H Molero, T Ziegler, ...
Physical Chemistry Chemical Physics 16 (20), 9383-9393, 2014
172014
Phase evolution of electrochemically potassium intercalated graphite
H Onuma, K Kubota, S Muratsubaki, W Ota, M Shishkin, H Sato, ...
Journal of Materials Chemistry A 9 (18), 11187-11200, 2021
152021
DFT+U in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap …
M Shishkin, H Sato
The Journal of Chemical Physics 151 (2), 024102, 2019
122019
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Artikelen 1–20