High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite-Reference-Cited by-同舟云学术

High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

Published:2021-03-18 Issue:12 Volume:125 Page:2588-2600
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rivero Santamaría Alejandro¹²^ORCID,Ramos Maximiliano³⁴^ORCID,Alducin Maite¹²^ORCID,Busnengo Heriberto Fabio³^ORCID,Díez Muiño Ricardo¹²^ORCID,Juaristi J. Iñaki¹²⁵^ORCID

Affiliation:

1. Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián, Spain

2. Donostia International Physics Center DIPC, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián, Spain

3. Instituto de Física Rosario, CONICET and Universidad Nacional de Rosario, Bv. 27 de Febrero 210 bis, 2000 Rosario, Argentina

4. Facultad de Ciencias Exactas, Ingeniera y Agrimensura, Universidad Nacional de Rosario, Av. Pellegrini 250, S2000BTP Rosario, Argentina

5. Departamento de Polímeros y Materiales Avanzados: Física, Química y Tecnología, Facultad de Químicas, Universidad del País Vasco (UPV/EHU), Apartado 1072, 20080 Donostia-San Sebastián, Spain

Funder

Ministerio de Ciencia e Innovaci?n

Gobierno Vasco-UPV/EHU project

Agencia Nacional de Promoci?n de la Investigaci?n, el Desarrollo Tecnol?gico y la Innovaci?n

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c00835

Reference78 articles.

1. The reactivity of graphite surfaces with atoms and molecules of hydrogen, oxygen and nitrogen