Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes.

Autor: Timmer D; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany., Zheng F; Bremen Center for Computational Materials Science, University of Bremen, Bremen28359, Germany., Gittinger M; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany., Quenzel T; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany., Lünemann DC; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany., Winte K; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany., Zhang Y; Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States., Madjet ME; Bremen Center for Computational Materials Science, University of Bremen, Bremen28359, Germany., Zablocki J; Kekulé-Institute for Organic Chemistry and Biochemistry, University of Bonn, Bonn53121, Germany., Lützen A; Kekulé-Institute for Organic Chemistry and Biochemistry, University of Bonn, Bonn53121, Germany., Zhong JH; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany.; Department of Materials Science and Engineering, Southern University of Science and Technology, Shenzhen, Guangdong518055, China., De Sio A; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany.; Center for Nanoscale Dynamics (CeNaD), Carl von Ossietzky Universität, Oldenburg26129, Germany., Frauenheim T; Bremen Center for Computational Materials Science, University of Bremen, Bremen28359, Germany.; Beijing Computational Science Research Center (CSRC), Beijing100193, China.; Shenzhen Computational Science and Applied Research (CSAR) Institute, Shenzhen518110, China., Tretiak S; Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States., Lienau C; Institut für Physik, Carl von Ossietzky Universität, Oldenburg26129, Germany.; Center for Nanoscale Dynamics (CeNaD), Carl von Ossietzky Universität, Oldenburg26129, Germany.; Forschungszentrum Neurosensorik, Carl von Ossietzky Universität, Oldenburg26129, Germany.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2022 Oct 19; Vol. 144 (41), pp. 19150-19162. Date of Electronic Publication: 2022 Oct 07.

First-Principles Density Functional Theory Calculations of Bilayer Membranes Heterostructures of Ti 3 C 2 T 2 (MXene)/Graphene and AgNPs.

Autor: Berdiyorov GR; Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha P.O. Box 34110, Qatar., Madjet ME; Max Planck Institute for the Physics of Complex Systems Nöthnitzer Str. 38, 01187 Dresden, Germany., Mahmoud KA; Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha P.O. Box 34110, Qatar.

Publikováno v: Membranes [Membranes (Basel)] 2021 Jul 16; Vol. 11 (7). Date of Electronic Publication: 2021 Jul 16.

Ultrafast Transfer and Transient Entrapment of Photoexcited Mg Electron in Mg@C_{60}.

Autor: Madjet ME; Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Straße 38, 01187 Dresden, Germany.; Department of Natural Sciences, D. L. Hubbard Center for Innovation, Northwest Missouri State University, Maryville, Missouri 64468, USA., Ali E; Department of Natural Sciences, D. L. Hubbard Center for Innovation, Northwest Missouri State University, Maryville, Missouri 64468, USA., Carignano M; Department of Biomedical Engineering, Northwestern University, Evanston, Illinois 60208, USA., Vendrell O; Theoretical Chemistry, Institute of Physical Chemistry and Centre for Advanced Materials, Heidelberg University, Im Neuenheimer Feld 229 and 225, 69120 Heidelberg, Germany., Chakraborty HS; Department of Natural Sciences, D. L. Hubbard Center for Innovation, Northwest Missouri State University, Maryville, Missouri 64468, USA.

Publikováno v: Physical review letters [Phys Rev Lett] 2021 May 07; Vol. 126 (18), pp. 183002.

Photoinduced Vibrations Drive Ultrafast Structural Distortion in Lead Halide Perovskite.

Autor: Duan HG; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, Hamburg 22761, Germany.; I. Institut für Theoretische Physik, Universität Hamburg, Jungiusstrasse 9, Hamburg 20355, Germany.; The Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, Hamburg 22761, Germany., Tiwari V; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, Hamburg 22761, Germany.; Department of Chemistry, University of Hamburg, Martin-Luther-King Platz 6, Hamburg 20146, Germany., Jha A; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, Hamburg 22761, Germany., Berdiyorov GR; Qatar Environment and Energy Research Institute, Qatar Foundation, Hamad Bin Khalifa University, P.O. Box 34110, Doha, Qatar., Akimov A; Department of Chemistry, State University of New York at Buffalo, Buffalo New York 14260, United States., Vendrell O; Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, Heidelberg 69120, Germany., Nayak PK; Department of Physics, University of Oxford, Clarendon Laboratory, Parks Road, Oxford OX1 3PU, United Kingdom.; TIFR Centre for Interdisciplinary Sciences, Tata Institute of Fundamental Research, Hyderabad 500046, India., Snaith HJ; Department of Physics, University of Oxford, Clarendon Laboratory, Parks Road, Oxford OX1 3PU, United Kingdom., Thorwart M; I. Institut für Theoretische Physik, Universität Hamburg, Jungiusstrasse 9, Hamburg 20355, Germany.; The Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, Hamburg 22761, Germany., Li Z; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, Hamburg 22761, Germany.; State Key Laboratory for Mesoscopic Physics, School of Physics, Peking University, Beijing 100871, China., Madjet ME; Qatar Environment and Energy Research Institute, Qatar Foundation, Hamad Bin Khalifa University, P.O. Box 34110, Doha, Qatar., Miller RJD; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, Hamburg 22761, Germany.; The Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, Hamburg 22761, Germany.; The Departments of Chemistry and Physics, University of Toronto, 80 Saint George Street, Toronto, Ontario M5S 3H6, Canada.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2020 Sep 30; Vol. 142 (39), pp. 16569-16578. Date of Electronic Publication: 2020 Sep 15.

Relativistic treatment of hole alignment in noble gas atoms.

Autor: Tahouri, Rezvan¹ (AUTHOR), Papoulia, Asimina¹ (AUTHOR), Carlström, Stefanos² (AUTHOR), Zapata, Felipe³ (AUTHOR), Dahlström, Jan Marcus¹ (AUTHOR) marcus.dahlstrom@matfys.lth.se

Publikováno v: Communications Physics. 10/21/2024, Vol. 7 Issue 1, p1-8. 8p.