On the Electronic and Optical Properties of Metal–Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2-Reference-Cited by-同舟云学术

On the Electronic and Optical Properties of Metal–Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Published:2020-01-24 Issue:7 Volume:124 Page:4065-4072
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Capano Gloria¹,Ambrosio Francesco²³⁴^ORCID,Kampouri Stavroula¹^ORCID,Stylianou Kyriakos C.¹^ORCID,Pasquarello Alfredo²^ORCID,Smit Berend¹^ORCID

Affiliation:

1. Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland

2. Chaire de Simulation à l’Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

3. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Molecolari (ISTM-CNR), Via Elce di Sotto 8, 06123 Perugia, Italy

4. CompuNet, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova, Italy

Funder

Schweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen Forschung

National Center of Competence in Research Materials??? Revolution: Computational Design and Discovery of Novel Materials

Swiss National Supercomputing Center (CSCS)

Schweizerischer Nationalfonds zur F????rderung der Wissenschaftlichen Forschung, Korean-Swiss Science and 468 Technology Programme???? (KSSTP)

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.9b09453

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