P
Poul Georg Moses
Researcher at Technical University of Denmark
Publications - 55
Citations - 12014
Poul Georg Moses is an academic researcher from Technical University of Denmark. The author has contributed to research in topics: Catalysis & Adsorption. The author has an hindex of 31, co-authored 52 publications receiving 10193 citations. Previous affiliations of Poul Georg Moses include SLAC National Accelerator Laboratory & University of California, Santa Barbara.
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Journal ArticleDOI
Biomimetic Hydrogen Evolution: MoS2 Nanoparticles as Catalyst for Hydrogen Evolution
Berit Hinnemann,Poul Georg Moses,Jacob Lindner Bonde,Kristina Pilt Jørgensen,Jane Hvolbæk Nielsen,Sebastian Horch,Ib Chorkendorff,Jens K. Nørskov +7 more
TL;DR: The ability of different metal surfaces and of the enzymes nitrogenase and hydrogenase to catalyze the hydrogen evolution reaction is analyzed and a necessary criterion for high catalytic activity is found: that the binding free energy of atomic hydrogen to the catalyst is close to zero.
Journal ArticleDOI
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J. Enkovaara,Carsten Rostgaard,Jens Jørgen Mortensen,Jingzhe Chen,Marcin Dulak,Lara Ferrighi,Jeppe Gavnholt,Christian Glinsvad,V. Haikola,Heine Anton Hansen,Henrik H. Kristoffersen,Mikael Kuisma,Ask Hjorth Larsen,Lauri Lehtovaara,Mathias P. Ljungberg,Olga Lopez-Acevedo,Poul Georg Moses,Jussi Ojanen,Thomas Olsen,Vivien Gabriele Petzold,Nichols A. Romero,Jess Stausholm-Møller,Mikkel Strange,Georgios A. Tritsaris,Marco Vanin,Michael Walter,Bjørk Hammer,Hannu Häkkinen,Georg K. H. Madsen,Risto M. Nieminen,Jens K. Nørskov,Martti J. Puska,Tapio T. Rantala,Jakob Schiøtz,Kristian Sommer Thygesen,Karsten Wedel Jacobsen +35 more
TL;DR: This article presents the projector augmented-wave (PAW) method as implemented in the GPAW program package using a uniform real-space grid representation of the electronic wavefunctions and implements the two common formulations of TDDFT, namely the linear-response and the time propagation schemes.
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Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces.
Frank Abild-Pedersen,Jeffrey Greeley,Felix Studt,Jan Rossmeisl,Ture R. Munter,Poul Georg Moses,Egill Skúlason,Thomas Bligaard,Jens K. Nørskov +8 more
TL;DR: The scaling model is developed into a general framework for estimating the reaction energies for hydrogenation and dehydrogenation reactions and it is found that the adsorption energy of any of the molecules considered scales approximately with the adhesion energy of the central, C, N, O, or S atom.
Journal ArticleDOI
Hydrogen evolution on nano-particulate transition metal sulfides.
TL;DR: The hydrogen evolution reaction (HER) on carbon supported MoS2 nanoparticles is investigated and compared to findings with previously published work on Au(111) supported Mo S2, and calculated values for the hydrogen binding energies on each system are compared.
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A density functional for sparse matter
David C. Langreth,Bengt I. Lundqvist,Bengt I. Lundqvist,Svetla D. Chakarova-Käck,Valentino R. Cooper,Max Dion,Per Hyldgaard,André K. Kelkkanen,Jesper Kleis,Jesper Kleis,Lingzhu Kong,Shen Li,Poul Georg Moses,Eamonn Murray,Aaron Puzder,Henrik Rydberg,Elsebeth Schröder,Timo Thonhauser +17 more
TL;DR: Comparison with results from wavefunction calculations for the smaller systems and with experimental data for the extended ones show the vdW-DF path to be promising, and this could have great ramifications for dense matter.