Zobrazeno 1 - 10
of 182
pro vyhledávání: '"Michael Odelius"'
Autor:
Sarai Dery Folkestad, Alexander C. Paul, Regina Paul (Née Matveeva), Sonia Coriani, Michael Odelius, Marcella Iannuzzi, Henrik Koch
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract X-ray absorption (XA) spectroscopy is an essential experimental tool to investigate the local structure of liquid water. Interpretation of the experiment poses a significant challenge and requires a quantitative theoretical description. High
Externí odkaz:
https://doaj.org/article/b7c4f40bd05649098f5fb5c96ba78262
Autor:
Gabriel J. Man, Chinnathambi Kamal, Aleksandr Kalinko, Dibya Phuyal, Joydev Acharya, Soham Mukherjee, Pabitra K. Nayak, Håkan Rensmo, Michael Odelius, Sergei M. Butorin
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-10 (2022)
The A-cation influence on the mechanism of slow hot carrier cooling in perovskites is controversial. Here, Man et al. resolve a debated issue regarding A-cation influence on the electronic structure of lead halide perovskites.
Externí odkaz:
https://doaj.org/article/813c647ed4dd4681b69d9c3cc610fee1
Autor:
Ambar Banerjee, Michael R. Coates, Markus Kowalewski, Hampus Wikmark, Raphael M. Jay, Philippe Wernet, Michael Odelius
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-10 (2022)
The photodissociation of transition metal carbonyls is involved in catalysis and synthetic processes. Here the authors, using semi-classical excited state molecular dynamics, observe details of the early stage dynamics in the photodissociation of Fe(
Externí odkaz:
https://doaj.org/article/0701b6e7258543b49c26a9e0c397d965
Autor:
Viktoriia Savchenko, Iulia Emilia Brumboiu, Victor Kimberg, Michael Odelius, Pavel Krasnov, Ji-Cai Liu, Jan-Erik Rubensson, Olle Björneholm, Conny Såthe, Johan Gråsjö, Minjie Dong, Annette Pietzsch, Alexander Föhlisch, Thorsten Schmitt, Daniel McNally, Xingye Lu, Sergey P. Polyutov, Patrick Norman, Marcella Iannuzzi, Faris Gel’mukhanov, Victor Ekholm
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
Abstract Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical
Externí odkaz:
https://doaj.org/article/24b1286e5b5f4ac2a054727dcab5da6a
Autor:
Vinícius Vaz da Cruz, Faris Gel’mukhanov, Sebastian Eckert, Marcella Iannuzzi, Emelie Ertan, Annette Pietzsch, Rafael C. Couto, Johannes Niskanen, Mattis Fondell, Marcus Dantz, Thorsten Schmitt, Xingye Lu, Daniel McNally, Raphael M. Jay, Victor Kimberg, Alexander Föhlisch, Michael Odelius
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
Understanding how nuclear motions affect vibrational motions in molecular liquids remains challenging in modern condensed matter physics. Here the authors study the vibrational quantum effects in liquid water and show the sensitivity on the coherent
Externí odkaz:
https://doaj.org/article/1c04197c52824194899d4995feda4da9
Publikováno v:
Structural Dynamics, Vol 7, Iss 2, Pp 024101-024101-9 (2020)
Ultrafast non-adiabatic dynamics of the small heteroaromatic compound 2-thiopyridone has been studied with surface hopping simulations based on multi-configurational quantum chemistry. Initial excitation of the bright S 2 ( π , π * ) state is foun
Externí odkaz:
https://doaj.org/article/02140c3bde744a0792652d6a22a281c3
Autor:
Rafael C. Couto, Vinícius V. Cruz, Emelie Ertan, Sebastian Eckert, Mattis Fondell, Marcus Dantz, Brian Kennedy, Thorsten Schmitt, Annette Pietzsch, Freddy F. Guimarães, Hans Ågren, Faris Gel’mukhanov, Michael Odelius, Victor Kimberg, Alexander Föhlisch
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-7 (2017)
Investigating dynamics of polyatomic molecules is difficult as their potential energy surfaces are multidimensional due to coupled degrees of freedom. Here the authors demonstrate a spatial selective gating technique to probe the different vibrationa
Externí odkaz:
https://doaj.org/article/d1f28289d8e740ada1fc39022282e41f
Publikováno v:
New Journal of Physics, Vol 23, Iss 6, p 063030 (2021)
In theoretical simulations of a UV + x-ray pump-probe (UVX-PP) setup, we show that frequency detuning of the pump UV pulse acts as a camera shutter by regulating the duration of the UVX-PP process. This two-photon absorption with long overlapping UV
Externí odkaz:
https://doaj.org/article/476ec185ac3544c89ebb20980f842f56
Publikováno v:
Structural Dynamics, Vol 3, Iss 2, Pp 023607-023607-14 (2016)
The solvation of the ruthenium(II) tris(bipyridine) ion ([Ru(bpy)3]2+) is investigated with molecular dynamics simulations of lithium halide solutions in polar solvents. The anion distribution around the [Ru(bpy)3]2+ complex exhibits a strong solvent
Externí odkaz:
https://doaj.org/article/5480d80cfa7d4cd88f348573bdeb5c32
Autor:
Kristjan Kunnus, Ida Josefsson, Ivan Rajkovic, Simon Schreck, Wilson Quevedo, Martin Beye, Sebastian Grübel, Mirko Scholz, Dennis Nordlund, Wenkai Zhang, Robert W Hartsock, Kelly J Gaffney, William F Schlotter, Joshua J Turner, Brian Kennedy, Franz Hennies, Simone Techert, Philippe Wernet, Michael Odelius, Alexander Föhlisch
Publikováno v:
New Journal of Physics, Vol 18, Iss 10, p 103011 (2016)
Ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with e
Externí odkaz:
https://doaj.org/article/18009923150c4edcae6855b83689d99f