Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Jens Kehlet Nørskov"'
Understanding the hydrogen evolution reaction (HER) behaviors over 2D transition metal dichalcogenides (2D-TMDs) is critical for the development of non-precious HER electrocatalysts with better activity. In this work, by combining density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33c47452076421f5b53f103f62965acf
https://doi.org/10.26434/chemrxiv.14679084
https://doi.org/10.26434/chemrxiv.14679084
Autor:
Elizabeth Lee, Thomas Ludwig, Boyuan Yu, Aayush Singh, François Gygi, Jens Kehlet Nørskov, Juan de Pablo
In heterogeneous catalysis, free energy profiles of reactions govern the mechanisms, rates, and equilibria. Energetics are conventionally computed using the harmonic approximation (HA), which requires determination of critical states a priori. Here,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::add90010e129e7dcd1fa23122be4f201
https://doi.org/10.26434/chemrxiv.13374059
https://doi.org/10.26434/chemrxiv.13374059
Autor:
Thomas Bligaard, Michal Bajdich, Jens Kehlet Nørskov, Joseph H. Montoya, Muratahan Aykol, Jose Antonio Garrido Torres, Ankit Jain, Kirsten Winther, Christopher Paolucci, Raul Flores
The discovery of high-performing and stable materials for sustainable energy applications is a pressing goal in catalysis and materials science. Understanding the relationship between a material's structure and functionality is an important step in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a0879d87a2093d88d27d4589f79d35fa
https://doi.org/10.26434/chemrxiv.12245648
https://doi.org/10.26434/chemrxiv.12245648
Autor:
Michal Bajdich, Meredith Fields, Leanne D. Chen, Robert B. Sandberg, Karen Chan, Jens Kehlet Nørskov
We estimate the rate of electron transfer to CO2 at the Au(211)|water interface during adsorption in an electrochemical environment under negative potentials. Based on density functional theory calculations at the generalized gradient approximation,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc0be81e3dc18191482012f5757a0ffc
https://doi.org/10.26434/chemrxiv.8187629.v1
https://doi.org/10.26434/chemrxiv.8187629.v1
Autor:
Ifan Stephens, Aayush Singh, Brian Rohr, Sarah Blair, Stefano Mezzavilla, Jakob Kibsgaard, Peter Christian Kjærgaard Vesborg, Matteo Cargnello, Stacey Bent, Thomas Jaramillo, Jens Kehlet Nørskov, Suzanne Zamany Andersen, Chorkendorff, Viktor Čolić, Sungeun Yang, John Schwalbe, Adam Nielander, Joshua McEnaney, Kasper Enemark-Rasmussen, Jon Baker
Publikováno v:
Technical University of Denmark Orbit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::3747dbd9ab94747a1fe5c7fb36830a9c
https://orbit.dtu.dk/en/publications/4cd877a9-235e-4e9c-834b-4ced0d273d26
https://orbit.dtu.dk/en/publications/4cd877a9-235e-4e9c-834b-4ced0d273d26