Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Nils Hertl"'
Autor:
Dmitriy Borodin, Nils Hertl, G. Barratt Park, Michael Schwarzer, Jan Fingerhut, Yingqi Wang, Junxiang Zuo, Florian Nitz, Georgios Skoulatakis, Alexander Kandratsenka, Daniel J. Auerbach, Dirk Schwarzer, Hua Guo, Theofanis N. Kitsopoulos, Alec M. Wodtke
Publikováno v:
Science. 377:394-398
There is wide interest in developing accurate theories for predicting rates of chemical reactions that occur at metal surfaces, especially for applications in industrial catalysis. Conventional methods contain many approximations that lack experiment
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e82f9082dd39e66eced6f0b966085694
https://doi.org/10.1126/science.abq1414
https://doi.org/10.1126/science.abq1414
Autor:
Raidel Martin-Barrios, Nils Hertl, Oihana Galparsoro, Alexander Kandratsenka, Alec M. Wodtke, Pascal Larrégaray
Publikováno v:
Addi. Archivo Digital para la Docencia y la Investigación
instname
Physical Chemistry Chemical Physics
instname
Physical Chemistry Chemical Physics
Molecular dynamics with electronic friction (MDEF) at the level of the local density friction approximation (LDFA) has been applied to describe electronically non-adiabatic energy transfer accompanying H atom collisions with many solid metal surfaces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cf991f5e3e0eee30118d9e722d25be9
http://hdl.handle.net/10810/58243
http://hdl.handle.net/10810/58243
Autor:
Kerstin Krüger, Yingqi Wang, Sophia Tödter, Felix Debbeler, Anna Matveenko, Nils Hertl, Xueyao Zhou, Bin Jiang, Hua Guo, Alec M. Wodtke, Oliver Bünermann
Publikováno v:
Nature Chemistry
The Born–Oppenheimer approximation is the keystone of modern computational chemistry and there is wide interest in understanding under what conditions it remains valid. Hydrogen atom scattering from insulator, semi-metal and metal surfaces has help
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43e7a426cc13d1b579068eac2ec15606
https://pubmed.ncbi.nlm.nih.gov/36411362
https://pubmed.ncbi.nlm.nih.gov/36411362
Publikováno v:
Physical Chemistry Chemical Physics
We report a newly derived Effective Medium Theory (EMT) formalism for bcc metals and apply it for the construction of a full-dimensional PES for H atoms interacting with molybdenum (Mo) and tungsten (W). We construct PESs for the (111) and (110) face
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d223d5e93de34dccd4c61102c83ddf0b
https://pubmed.ncbi.nlm.nih.gov/35373798
https://pubmed.ncbi.nlm.nih.gov/35373798
Autor:
Theofanis N. Kitsopoulos, Hongyan Jiang, Oliver Bünermann, Yvonne Dorenkamp, Alexander Kandratsenka, Alec M. Wodtke, Nils Hertl, Loïc Lecroart
Publikováno v:
The Journal of Chemical Physics
We report inelastic differential scattering experiments for energetic H and D atoms colliding at a Pt(111) surface with and without adsorbed O atoms. Dramatically, more energy loss is seen for scattering from the Pt(111) surface compared to p(2 × 2)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::901ceccc57634265ba06e06d9f5fb974
https://pubmed.ncbi.nlm.nih.gov/34293879
https://pubmed.ncbi.nlm.nih.gov/34293879
Autor:
Dirk Schwarzer, Daniel J. Auerbach, Alec M. Wodtke, Raidel Martin-Barrios, Pascal Larrégaray, Alexander Kandratsenka, Oihana Galparsoro, Nils Hertl
Publikováno v:
The Journal of Physical Chemistry C
The journal of physical chemistry. C, Nanomaterials and interfaces
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (26), pp.14468-14473. ⟨10.1021/acs.jpcc.1c03436⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
The journal of physical chemistry. C, Nanomaterials and interfaces
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (26), pp.14468-14473. ⟨10.1021/acs.jpcc.1c03436⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Originally conceived to describe thermal diffusion, the Langevin equation includes both a frictional drag and a random force, the latter representing thermal fluctuations first seen as Brownian motion. The random force is crucial for the diffusion pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b26f38d1417acae879ced1c41f13ca4
https://hdl.handle.net/21.11116/0000-0009-73C1-B21.11116/0000-0009-73BD-1
https://hdl.handle.net/21.11116/0000-0009-73C1-B21.11116/0000-0009-73BD-1
Publikováno v:
The Journal of Physical Chemistry A
The Journal of Physical Chemistry. a
The Journal of Physical Chemistry. a
We report the results of inelastic differential scattering experiments and full-dimensional molecular dynamics trajectory simulations for 2.76 eV H atoms colliding at a surface of solid xenon. The interaction potential is based on an effective medium
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::941f1776274ff733684daea1b288ae2c
https://hdl.handle.net/21.11116/0000-0009-73C3-921.11116/0000-0009-73C6-6
https://hdl.handle.net/21.11116/0000-0009-73C3-921.11116/0000-0009-73C6-6
Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption
Autor:
Marvin Kammler, Svenja M. Janke, Alec M. Wodtke, Nils Hertl, Oliver Bünermann, Hongyan Jiang, Yvonne Dorenkamp, Alexander Kandratsenka, Hansjochen Köckert
Publikováno v:
The Journal of Chemical Physics
Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::182eda239c3bff621f79d5a066cdda04
https://hdl.handle.net/21.11116/0000-0003-2294-F21.11116/0000-0000-33E1-821.11116/0000-0003-2293-021.11116/0000-0003-3DC2-E
https://hdl.handle.net/21.11116/0000-0003-2294-F21.11116/0000-0000-33E1-821.11116/0000-0003-2293-021.11116/0000-0003-3DC2-E
Autor:
Philip T. M. Carlsson, Thomas Zeuch, Matthias Olzmann, Mark Pfeifle, Jennifer Ahrens, J. Lennard Wolf, Nils Hertl
Publikováno v:
Angewandte Chemie International Edition. 53:715-719
Recently, direct kinetic experiments have shown that the oxidation of sulfur dioxide to sulfur trioxide by reaction with stabilized Criegee intermediates (CIs) is an important source of sulfuric acid in the atmosphere. So far, only small CIs, generat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::120af49a43ab6173c0303a0044ff4698
https://doi.org/10.1002/anie.201307327
https://doi.org/10.1002/anie.201307327
Autor:
Matthias Olzmann, J. Lennard Wolf, Jennifer Ahrens, Philip T. M. Carlsson, Mark Pfeifle, Nils Hertl, Thomas Zeuch
Publikováno v:
Angewandte Chemie. 126:733-737
Kinetikexperimente haben vor kurzem ergeben, dass die Oxidation von Schwefeldioxid zu Schwefeltrioxid durch stabilisierte Criegee-Intermediate (CIs) eine wichtige Quelle fur Schwefelsaure in der Atmosphare ist. Bislang waren nur kleine, durch Photoly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f775b3f60a64259180aa2eb6042fdaa2
https://doi.org/10.1002/ange.201307327
https://doi.org/10.1002/ange.201307327