Phase diagram of H2 adsorbed on graphene
The phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of H4e, the ground state of molecular hydrogen is a 3¿×3¿ commensurate structure, followed, upon a p...
| Autores: | , |
|---|---|
| Tipo de recurso: | artículo |
| Fecha de publicación: | 2010 |
| País: | España |
| Institución: | Universidad Pablo de Olavide (UPO) |
| Repositorio: | RIO. Repositorio Institucional Olavide |
| Idioma: | inglés |
| OAI Identifier: | oai:rio.upo.es:10433/909 |
| Acceso en línea: | http://hdl.handle.net/10433/909 |
| Access Level: | acceso abierto |
| Palabra clave: | Graphene Monte Carlo simulations |
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Phase diagram of H2 adsorbed on grapheneGordillo, M.C.Boronat, J.GrapheneMonte Carlo simulationsThe phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of H4e, the ground state of molecular hydrogen is a 3¿×3¿ commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids.American Physical Society20142014-06-0920102010-04-0120102010-04-01journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10433/909reponame:RIO. Repositorio Institucional Olavideinstname:Universidad Pablo de Olavide (UPO)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:rio.upo.es:10433/9092026-06-13T12:46:27Z |
| dc.title.none.fl_str_mv |
Phase diagram of H2 adsorbed on graphene |
| title |
Phase diagram of H2 adsorbed on graphene |
| spellingShingle |
Phase diagram of H2 adsorbed on graphene Gordillo, M.C. Graphene Monte Carlo simulations |
| title_short |
Phase diagram of H2 adsorbed on graphene |
| title_full |
Phase diagram of H2 adsorbed on graphene |
| title_fullStr |
Phase diagram of H2 adsorbed on graphene |
| title_full_unstemmed |
Phase diagram of H2 adsorbed on graphene |
| title_sort |
Phase diagram of H2 adsorbed on graphene |
| dc.creator.none.fl_str_mv |
Gordillo, M.C. Boronat, J. |
| author |
Gordillo, M.C. |
| author_facet |
Gordillo, M.C. Boronat, J. |
| author_role |
author |
| author2 |
Boronat, J. |
| author2_role |
author |
| dc.contributor.none.fl_str_mv |
|
| dc.subject.none.fl_str_mv |
Graphene Monte Carlo simulations |
| topic |
Graphene Monte Carlo simulations |
| description |
The phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of H4e, the ground state of molecular hydrogen is a 3¿×3¿ commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids. |
| publishDate |
2010 |
| dc.date.none.fl_str_mv |
2010 2010-04-01 2010 2010-04-01 2014 2014-06-09 |
| dc.type.none.fl_str_mv |
journal article http://purl.org/coar/resource_type/c_6501 |
| dc.type.openaire.fl_str_mv |
info:eu-repo/semantics/article |
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article |
| dc.identifier.none.fl_str_mv |
http://hdl.handle.net/10433/909 |
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http://hdl.handle.net/10433/909 |
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Inglés eng |
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Inglés |
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eng |
| dc.rights.none.fl_str_mv |
open access http://purl.org/coar/access_right/c_abf2 |
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info:eu-repo/semantics/openAccess |
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open access http://purl.org/coar/access_right/c_abf2 |
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openAccess |
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application/pdf |
| dc.publisher.none.fl_str_mv |
American Physical Society |
| publisher.none.fl_str_mv |
American Physical Society |
| dc.source.none.fl_str_mv |
reponame:RIO. Repositorio Institucional Olavide instname:Universidad Pablo de Olavide (UPO) |
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Universidad Pablo de Olavide (UPO) |
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RIO. Repositorio Institucional Olavide |
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RIO. Repositorio Institucional Olavide |
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15,300719 |