Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments-Reference-Cited by-同舟云学术

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

Published:2023-11-10 Issue:46 Volume:145 Page:25372-25381
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Shi Benjamin X.¹^ORCID,Zen Andrea²³^ORCID,Kapil Venkat¹,Nagy Péter R.⁴⁵⁶^ORCID,Grüneis Andreas⁷^ORCID,Michaelides Angelos¹^ORCID

Affiliation:

1. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, U.K.

2. Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II, Monte S. Angelo, I-80126 Napoli, Italy

3. Department of Earth Sciences, University College London, Gower Street, WC1E 6BT London, U.K.

4. Department of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Müegyetem rkp. 3, H-1111 Budapest, Hungary

5. HUN-REN-BME Quantum Chemistry Research Group, Müegyetem rkp. 3, H-1111 Budapest, Hungary

6. MTA-BME Lendület Quantum Chemistry Research Group, Müegyetem rkp. 3, H-1111 Budapest, Hungary

7. Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, 1040 Vienna, Austria

Funder

Engineering and Physical Sciences Research Council

Magyar Tudom?nyos Akad?mia

Ernest Oppenheimer Memorial Trust

Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal

Churchill College, University of Cambridge

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.3c09616

Reference127 articles.

1. Elementary Steps in Heterogeneous Catalysis

2. Building Up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single-Atom Catalysts

3. Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates

4. Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions

5. Gas Storage in Nanoporous Materials

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