{"id":"https://openalex.org/W1992066017","doi":"https://doi.org/10.1103/physrevb.79.041406","title":"Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations","display_name":"Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations","publication_year":2009,"publication_date":"2009-01-29","ids":{"openalex":"https://openalex.org/W1992066017","doi":"https://doi.org/10.1103/physrevb.79.041406","mag":"1992066017"},"language":"en","primary_location":{"id":"doi:10.1103/physrevb.79.041406","doi":"https://doi.org/10.1103/physrevb.79.041406","is_oa":true,"landing_page_url":"https://doi.org/10.1103/physrevb.79.041406","pdf_url":"http://link.aps.org/pdf/10.1103/PhysRevB.79.041406","source":{"id":"https://openalex.org/S6791298","display_name":"Physical Review B","issn_l":"1098-0121","issn":["1098-0121","1538-4489","1550-235X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","vabb-shw"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"http://link.aps.org/pdf/10.1103/PhysRevB.79.041406","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5027908197","display_name":"Can Ataca","orcid":"https://orcid.org/0000-0003-4959-1334","observed_orcids":["https://orcid.org/0000-0003-4959-1334"]},"institutions":[{"id":"https://openalex.org/I168864056","display_name":"Bilkent University","ror":"https://ror.org/02vh8a032","country_code":"TR","type":"education","lineage":["https://openalex.org/I168864056"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"C. Ataca","raw_affiliation_strings":["Department of Physics, Bilkent University, Ankara 06800, Turkey","UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Bilkent University, Ankara 06800, Turkey","institution_ids":["https://openalex.org/I168864056"]},{"raw_affiliation_string":"UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey","institution_ids":["https://openalex.org/I168864056"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024580746","display_name":"Ethem Akt\u00fcrk","orcid":"https://orcid.org/0000-0002-1615-7841","observed_orcids":["https://orcid.org/0000-0002-1615-7841"]},"institutions":[{"id":"https://openalex.org/I168864056","display_name":"Bilkent University","ror":"https://ror.org/02vh8a032","country_code":"TR","type":"education","lineage":["https://openalex.org/I168864056"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"E. Akt\u00fcrk","raw_affiliation_strings":["UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey","institution_ids":["https://openalex.org/I168864056"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084126023","display_name":"S. \u00c7iraci","orcid":"https://orcid.org/0000-0001-8023-9860","observed_orcids":["https://orcid.org/0000-0001-8023-9860"]},"institutions":[{"id":"https://openalex.org/I168864056","display_name":"Bilkent University","ror":"https://ror.org/02vh8a032","country_code":"TR","type":"education","lineage":["https://openalex.org/I168864056"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"S. Ciraci","raw_affiliation_strings":["Department of Physics, Bilkent University, Ankara 06800, Turkey","UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Bilkent University, Ankara 06800, Turkey","institution_ids":["https://openalex.org/I168864056"]},{"raw_affiliation_string":"UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey","institution_ids":["https://openalex.org/I168864056"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I168864056"],"apc_list":{"value":2675,"currency":"USD","value_usd":2675},"apc_paid":null,"fwci":12.7357,"has_fulltext":true,"cited_by_count":365,"citation_normalized_percentile":{"value":0.99328746,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"79","issue":"4","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10811","display_name":"Hydrogen Storage and Materials","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10811","display_name":"Hydrogen Storage and Materials","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.0007999999797903001,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/hydrogen-storage","display_name":"hydrogen storage","score":0.9929999709129333},{"id":"https://openalex.org/keywords/calcium-adsorption","display_name":"calcium adsorption","score":0.9330000281333923},{"id":"https://openalex.org/keywords/graphene","display_name":"graphene","score":0.9980000257492065},{"id":"https://openalex.org/keywords/chemisorption","display_name":"chemisorption","score":0.9150000214576721},{"id":"https://openalex.org/keywords/hydrogen-storage-capacity","display_name":"hydrogen storage capacity","score":0.6039999723434448},{"id":"https://openalex.org/keywords/electrostatic-repulsion","display_name":"electrostatic repulsion","score":0.968999981880188},{"id":"https://openalex.org/keywords/hydrogen-adsorption-sites","display_name":"hydrogen adsorption sites","score":0.35100001096725464}],"concepts":[{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.9056252241134644},{"id":"https://openalex.org/C68044625","wikidata":"https://www.wikidata.org/wiki/Q1203442","display_name":"Hydrogen storage","level":3,"score":0.7435206174850464},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.6427371501922607},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.5778992772102356},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.4851563572883606},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.48390135169029236},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.45756322145462036},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4392457902431488},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4191287159919739},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.4131966531276703},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.37803319096565247},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.28924858570098877},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.28305238485336304},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2774624824523926},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.24100306630134583},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.11819115281105042},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1103/physrevb.79.041406","doi":"https://doi.org/10.1103/physrevb.79.041406","is_oa":true,"landing_page_url":"https://doi.org/10.1103/physrevb.79.041406","pdf_url":"http://link.aps.org/pdf/10.1103/PhysRevB.79.041406","source":{"id":"https://openalex.org/S6791298","display_name":"Physical Review B","issn_l":"1098-0121","issn":["1098-0121","1538-4489","1550-235X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","vabb-shw"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:0901.1942","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/0901.1942","pdf_url":"https://arxiv.org/pdf/0901.1942","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:repository.bilkent.edu.tr:11693/22860","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/11693/22860","pdf_url":"https://repository.bilkent.edu.tr/bitstreams/4d03f95a-a3d7-4b6f-9f8b-dc9da6d5b0a3/download","source":{"id":"https://openalex.org/S4306400079","display_name":"Bilkent University Institutional Repository (Bilkent University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I168864056","host_organization_name":"Bilkent University","host_organization_lineage":["https://openalex.org/I168864056"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Physical Review B - Condensed Matter and Materials Physics","raw_type":"Article"},{"id":"doi:10.48550/arxiv.0901.1942","doi":"https://doi.org/10.48550/arxiv.0901.1942","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.0901.1942","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"},{"id":"mag:2963897373","doi":null,"is_oa":false,"landing_page_url":"http://absimage.aps.org/image/MAR10/MWS_MAR10-2009-006475.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S2764664775","display_name":"Bulletin of the American Physical Society","issn_l":"0003-0503","issn":["0003-0503"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310311721","host_organization_name":"Cambridge University Press","host_organization_lineage":["https://openalex.org/P4310311721","https://openalex.org/P4310311702"],"host_organization_lineage_names":["Cambridge University Press","University of Cambridge"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Bulletin of the American Physical Society","raw_type":null}],"best_oa_location":{"id":"doi:10.1103/physrevb.79.041406","doi":"https://doi.org/10.1103/physrevb.79.041406","is_oa":true,"landing_page_url":"https://doi.org/10.1103/physrevb.79.041406","pdf_url":"http://link.aps.org/pdf/10.1103/PhysRevB.79.041406","source":{"id":"https://openalex.org/S6791298","display_name":"Physical Review B","issn_l":"1098-0121","issn":["1098-0121","1538-4489","1550-235X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","vabb-shw"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.5690000057220459,"display_name":"Affordable and clean energy"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1992066017.pdf","grobid_xml":"https://content.openalex.org/works/W1992066017.grobid-xml"},"referenced_works_count":16,"referenced_works":["https://openalex.org/W1575479489","https://openalex.org/W1970127494","https://openalex.org/W1972169221","https://openalex.org/W1986465188","https://openalex.org/W2001035337","https://openalex.org/W2022085321","https://openalex.org/W2030628997","https://openalex.org/W2046268481","https://openalex.org/W2053802818","https://openalex.org/W2054184832","https://openalex.org/W2056722718","https://openalex.org/W2078029441","https://openalex.org/W2079105963","https://openalex.org/W2125284466","https://openalex.org/W2140479136","https://openalex.org/W4229499352"],"related_works":["https://openalex.org/W2023688392","https://openalex.org/W2090329145","https://openalex.org/W2320597467","https://openalex.org/W2045636795","https://openalex.org/W2080956243","https://openalex.org/W7073850982","https://openalex.org/W2036364746","https://openalex.org/W2487352979","https://openalex.org/W4414569008","https://openalex.org/W2027813767"],"abstract_inverted_index":{"Based":[0],"on":[1,11,77],"first-principles":[2],"plane":[3],"wave":[4],"calculations,":[5],"we":[6],"showed":[7],"that":[8],"Ca":[9,30,52,71,99,117,128],"adsorbed":[10,51,70],"graphene":[12,60,79,104],"can":[13,22,80,90],"serve":[14],"as":[15],"a":[16,63],"high-capacity":[17],"hydrogen":[18,87],"storage":[19,88],"medium,":[20],"which":[21],"be":[23,91],"recycled":[24],"by":[25,33,97,106,121],"operations":[26],"at":[27],"room":[28],"temperature.":[29],"is":[31,119],"chemisorbed":[32],"donating":[34],"part":[35],"of":[36,45,68,103,116],"its":[37],"$4s$":[38],"charge":[39],"to":[40,83,93,100,110],"the":[41,48,50,58,69,74,78,108,112,122],"empty":[42],"${\\ensuremath{\\pi}}^{\\ensuremath{\\ast}}$":[43],"band":[44],"graphene.":[46],"At":[47],"end":[49],"atom":[53],"becomes":[54],"positively":[55],"charged":[56,127],"and":[57,105],"semimetallic":[59],"changes":[61],"into":[62],"metallic":[64],"state.":[65],"While":[66],"each":[67],"atoms":[72,118],"forming":[73],"$(4\\ifmmode\\times\\else\\texttimes\\fi{}4)$":[75],"pattern":[76],"absorb":[81],"up":[82],"five":[84],"${\\text{H}}_{2}$":[85],"molecules,":[86],"capacity":[89],"increased":[92],"$8.4\\text{":[94],"}\\text{wt}\\text{":[95],"}%$":[96],"adsorbing":[98],"both":[101],"sides":[102],"increasing":[107],"coverage":[109],"form":[111],"$(2\\ifmmode\\times\\else\\texttimes\\fi{}2)$":[113],"pattern.":[114],"Clustering":[115],"hindered":[120],"repulsive":[123],"Coulomb":[124],"interaction":[125],"between":[126],"atoms.":[129]},"counts_by_year":[{"year":2026,"cited_by_count":11},{"year":2025,"cited_by_count":16},{"year":2024,"cited_by_count":24},{"year":2023,"cited_by_count":9},{"year":2022,"cited_by_count":23},{"year":2021,"cited_by_count":11},{"year":2020,"cited_by_count":21},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":28},{"year":2017,"cited_by_count":16},{"year":2016,"cited_by_count":21},{"year":2015,"cited_by_count":20},{"year":2014,"cited_by_count":33},{"year":2013,"cited_by_count":26},{"year":2012,"cited_by_count":38}],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2016-06-24T00:00:00"}
