Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Ulrik Grønbjerg Vej-Hansen"'
Autor:
Søren Smidstrup, G. Penazzi, Jess Wellendorff, Ari Ojanperä, Samuel T. Chill, Maeng-Eun Lee, Umberto Martinez, Ulrik Grønbjerg Vej-Hansen, Mattias Lau Nøhr Palsgaard, Kurt Stokbro, Petr Khomyakov, Mads Brandbyge, Brecht Verstichel, Pieter Vancraeyveld, Tue Gunst, Kristian Jensen, Troels Markussen, Anders Blom, Fabiano Corsetti, Julian Schneider, Filip Rasmussen, Daniele Stradi
Publikováno v:
Smidstrup, S, Markussen, T, Vancraeyveld, P, Wellendorff, J, Schneider, J, Gunst, T, Verstichel, B, Stradi, D, Khomyakov, P A, Vej-Hansen, U G, Lee, M-E, Chill, S T, Rasmussen, F, Penazzi, G, Corsetti, F, Ojanpera, A, Jensen, K, Palsgaard, M L N, Martinez, U, Blom, A, Brandbyge, M & Stokbro, K 2020, ' QuantumATK: An integrated platform of electronic and atomic-scale modelling tools ', Journal of Physics Condensed Matter, vol. 32, no. 1, 015901 . https://doi.org/10.1088/1361-648X/ab4007
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been previously pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d09e260e31875ae2f2f421a732d8bc1d
https://orbit.dtu.dk/en/publications/e1579037-0501-48c5-afc0-c3ca4c25670a
https://orbit.dtu.dk/en/publications/e1579037-0501-48c5-afc0-c3ca4c25670a
Autor:
Ib Chorkendorff, Ulrik Grønbjerg Vej-Hansen, Jan Rossmeisl, Ifan E. L. Stephens, Jakob Schiøtz, Paolo Malacrida, Amado Velázquez-Palenzuela, María Escudero-Escribano
Publikováno v:
Electrocatalysis. 8:594-604
The energy efficiency of polymer electrolyte membrane fuel cells is mainly limited by overpotentials related to the oxygen reduction reaction (ORR). In this paper, we present new platinum alloys which are active for the ORR and based on alloying Pt w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3031cfe17cf0c1d167859f963d7efe8
https://doi.org/10.1007/s12678-017-0375-9
https://doi.org/10.1007/s12678-017-0375-9
Autor:
Anders Blom, Petr Khomyakov, Søren Smidstrup, Maeng-Eun Lee, Ulrik Grønbjerg Vej-Hansen, G. Penazzi, Kurt Stokbro, Daniele Stradi, Jess Wellendorff
Publikováno v:
2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).
We propose a first-principles atomistic method based on density functional theory and the non-equilibrium Green’s-function method to investigate the electronic and structural response of metal-insulator-metal capacitors under applied bias voltages.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::707d2b41a950b5700519f6cd88327fe2
https://doi.org/10.1109/sispad.2019.8870397
https://doi.org/10.1109/sispad.2019.8870397
Autor:
Ifan E. L. Stephens, Elisabeth Therese Ulrikkeholm, María Escudero-Escribano, Apurva Mehta, Ib Chorkendorff, Ulrik Grønbjerg Vej-Hansen, Anders Pedersen, Anders Nilsson, Robert Feidenhans'l, Daniel Friebel, Jakob Schiøtz
Publikováno v:
Surface Science. 652:114-122
PtxGd single crystals have been prepared in ultra high vacuum (UHV). This alloy shows promising catalytic properties for the oxygen reduction reaction. The samples were prepared by using vacuum deposition of a thick layer of Gd on a sputter cleaned P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::239b98adc0b3e0f6aec0d469e17176cc
https://doi.org/10.1016/j.susc.2016.02.009
https://doi.org/10.1016/j.susc.2016.02.009
Autor:
Jakob Schiøtz, María Escudero-Escribano, Paolo Malacrida, Ifan E. L. Stephens, Ulrik Grønbjerg Vej-Hansen, Martin Hangaard Hansen, Vladimir Tripkovic, Jan Rossmeisl, Amado Velázquez-Palenzuela, Ib Chorkendorff
Publikováno v:
Science. 352:73-76
The high platinum loadings required to compensate for the slow kinetics of the oxygen reduction reaction (ORR) impede the widespread uptake of low-temperature fuel cells in automotive vehicles. We have studied the ORR on eight platinum (Pt)-lanthanid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9563530616f843830f17be9108992dcc
https://doi.org/10.1126/science.aad8892
https://doi.org/10.1126/science.aad8892
Autor:
Jakob Nordheim Riedel, Mikkel Jørgensen, Ulrik Grønbjerg Vej-Hansen, Ulrich Heiz, Marian D. Rötzer, Bela Sebok, Thomas Garm Pedersen, Ole Hansen, Florian F. Schweinberger, Jakob Schiøtz, Peter Christian Kjærgaard Vesborg, Ib Chorkendorff
Publikováno v:
Catalysis Science & Technology. 6:6893-6900
The H-2/D-2 exchange reaction was studied on mono-disperse Pt-8 clusters in a mu-reactor. The chemical activity was studied at temperatures varying from room temperature to 180 degrees C using mass spectrometry. It was found that minute amounts of O-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1c543c0c6185ca8462aa53d385c2133
https://doi.org/10.1039/c6cy00756b
https://doi.org/10.1039/c6cy00756b
Autor:
Maeng-Eun Lee, Ulrik Grønbjerg Vej-Hansen, Søren Smidstrup, Daniele Stradi, Petr Khomyakov, Jess Wellendorff, Kurt Stokbro
Publikováno v:
ESSDERC
We study from first principles the electrical characteristics of contacts between molybdenum ditelluride (MoTe 2 ) and gold (Au), to understand the properties of closely related phase-engineered contacts, recently fabricated experimentally. In agreem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4efd34e84a5253a720da32bde8545fcc
https://doi.org/10.1109/essderc.2018.8486907
https://doi.org/10.1109/essderc.2018.8486907
Autor:
Tushar K Ghosh, Maeng-Eun Lee, Ulrik Grønbjerg Vej-Hansen, Petr Khomyakov, Jess Wellendorff, Hannes Jónsson, Elvar Örn Jónsson, Kurt Stokbro, Daniele Stradi, Søren Smidstrup
Publikováno v:
Physical Review B. 96
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the system is descr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b69b2db4646640378dc42c0e61df742
https://doi.org/10.1103/physrevb.96.195309
https://doi.org/10.1103/physrevb.96.195309
Autor:
Jakob Schiøtz, Ulrik Grønbjerg Vej-Hansen, Jan Rossmeisl, Paolo Malacrida, Martin Hangaard Hansen, Ifan E. L. Stephens, Vladimir Tripkovic, María Escudero-Escribano, Amado Velázquez-Palenzuela, Ib Chorkendorff
Publikováno v:
ChemInform. 47
The high platinum loadings required to compensate for the slow kinetics of the oxygen reduction reaction (ORR) impede the widespread uptake of low-temperature fuel cells in automotive vehicles. We have studied the ORR on eight platinum (Pt)–lanthan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::28d08b761f927b89534b7c9fb8b2cc62
https://doi.org/10.1002/chin.201627011
https://doi.org/10.1002/chin.201627011
Publikováno v:
Physical chemistry chemical physics : PCCP. 18(4)
In this paper, we explore the notion that a negative alloying energy may act as a descriptor for long term stability of Pt-alloys as cathode catalysts in low temperature fuel cells. Using density functional theory calculations, we show that there is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b736d7d6c59edc416fb04ce9a082b400
https://pubmed.ncbi.nlm.nih.gov/26750475
https://pubmed.ncbi.nlm.nih.gov/26750475