Work

Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene

Year: 2018

Type: article

Abstract: ) THz via Arrhenius linear regression. The results demonstrate that AIMD simulations enable understanding complex precursor/surface reaction mechanisms, and thus propose AIMD to become an indispensable routine prediction-tool toward more effective exploitation of chemical precursors and better control of MOCVD processes during synthesis of functional materials.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/c8cp02786b

Authors: D. G. Sangiovanni, G. K. Gueorguiev, A. Kakanakova-Georgieva

Institutions: Ruhr University Bochum, Linköping University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Funders: National Science Council, Stiftelsen Olle Engkvist Byggmästare, Vetenskapsrådet, National Supercomputer Centre, Linköpings Universitet