Theoretical study of phosphorene multilayers: optical properties and small organic molecule physisorption

Phosphorene is an emerging 2D-like material with direct energy band. In this work we report the results of a theoretical study on the electronic structure of phosphorene multilayers. A particular emphasis is put on the investigation of the optical absorption and the functionalization of phosphorene...

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Autores:

Tipo de recurso:

Fecha de publicación:

2018

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/4572

Acceso en línea:

http://hdl.handle.net/11407/4572

Palabra clave:

Band structure; Benzene; Electromagnetic wave absorption; Electronic structure; Energy gap; Fullerenes; Lattice constants; Light absorption; Molecules; Monolayers; Multilayers; Optical multilayers; Optical properties; Physisorption; Van der Waals forces; Ambient conditions; Dielectric functions; Exchange-correlation functionals; Interband optical absorption; Interlayer distance; Molecular coatings; Small organic molecules; Van Der Waals interactions; Density functional theory

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http://purl.org/coar/access_right/c_16ec