Michael Walter
Michael Walter
Потвърден имейл адрес: fmf.uni-freiburg.de - Начална страница
The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ...
Journal of physics: Condensed matter 22 (25), 253202, 2010
A unified view of ligand-protected gold clusters as superatom complexes
M Walter, J Akola, O Lopez-Acevedo, PD Jadzinsky, G Calero, ...
Proceedings of the National Academy of Sciences 105 (27), 9157-9162, 2008
On the structure of thiolate-protected Au25
J Akola, M Walter, RL Whetten, H Häkkinen, H Grönbeck
Journal of the American Chemical Society 130 (12), 3756-3757, 2008
Divide and protect: capping gold nanoclusters with molecular gold− thiolate rings
H Häkkinen, M Walter, H Grönbeck
The Journal of Physical Chemistry B 110 (20), 9927-9931, 2006
Time-dependent density-functional theory in the projector augmented-wave method
M Walter, H Häkkinen, L Lehtovaara, M Puska, J Enkovaara, C Rostgaard, ...
The Journal of Chemical Physics 128 (24), 244101, 2008
Photo-double ionization of molecular hydrogen
M Walter, J Briggs
Journal of Physics B: Atomic, Molecular and Optical Physics 32 (11), 2487, 1999
Quantum well states in two-dimensional gold clusters on MgO thin films
X Lin, N Nilius, HJ Freund, M Walter, P Frondelius, K Honkala, ...
Physical review letters 102 (20), 206801, 2009
Theoretical characterization of cyclic thiolated gold clusters
H Grönbeck, M Walter, H Häkkinen
Journal of the American Chemical Society 128 (31), 10268-10275, 2006
Hydrogen treated anatase TiO 2: a new experimental approach and further insights from theory
M Mehta, N Kodan, S Kumar, A Kaushal, L Mayrhofer, M Walter, ...
Journal of Materials Chemistry A 4 (7), 2670-2681, 2016
Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals
J Akola, KA Kacprzak, O Lopez-Acevedo, M Walter, H Gronbeck, ...
The Journal of Physical Chemistry C 114 (38), 15986-15994, 2010
A hollow tetrahedral cage of hexadecagold dianion provides a robust backbone for a tuneable sub-nanometer oxidation and reduction agent via endohedral doping
M Walter, H Häkkinen
Physical Chemistry Chemical Physics 8 (46), 5407-5411, 2006
Ligand-protected gold alloy clusters: doping the superatom
M Walter, M Moseler
The Journal of Physical Chemistry C 113 (36), 15834-15837, 2009
Synthesis, stabilization, functionalization and, DFT calculations of gold nanoparticles in fluorous phases (PTFE and ionic liquids)
E Redel, M Walter, R Thomann, C Vollmer, L Hussein, H Scherer, ...
Chemistry–A European Journal 15 (39), 10047-10059, 2009
Stop-and-go, stepwise and “ligand-free” nucleation, nanocrystal growth and formation of Au-NPs in ionic liquids (ILs)
E Redel, M Walter, R Thomann, L Hussein, M Krüger, C Janiak
Chemical communications 46 (7), 1159-1161, 2010
Au: A large tetrahedral magic cluster
D Jiang, M Walter
Physical Review B 84 (19), 193402, 2011
Electrospun black titania nanofibers: Influence of hydrogen plasma-induced disorder on the electronic structure and photoelectrochemical performance
A Lepcha, C Maccato, A Mettenbörger, T Andreu, L Mayrhofer, M Walter, ...
The Journal of Physical Chemistry C 119 (33), 18835-18842, 2015
Activation and mechanochemical breaking of C–C bonds initiate wear of diamond (110) surfaces in contact with silica
A Peguiron, G Moras, M Walter, H Uetsuka, L Pastewka, M Moseler
Carbon 98, 474-483, 2016
Simplified continuum solvent model with a smooth cavity based on volumetric data
A Held, M Walter
The Journal of Chemical Physics 141 (17), 174108, 2014
Electronic structure of MgO-supported Au clusters: quantum dots probed by scanning tunneling microscopy
M Walter, P Frondelius, K Honkala, H Häkkinen
Physical review letters 99 (9), 096102, 2007
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