{"id":"https://openalex.org/W1925794641","doi":"https://doi.org/10.1039/c5cp01489a","title":"(Ti/Zr,N) codoped hematite for enhancing the photoelectrochemical activity of water splitting","display_name":"(Ti/Zr,N) codoped hematite for enhancing the photoelectrochemical activity of water splitting","publication_year":2015,"publication_date":"2015-01-01","ids":{"openalex":"https://openalex.org/W1925794641","doi":"https://doi.org/10.1039/c5cp01489a","mag":"1925794641","pmid":"https://pubmed.ncbi.nlm.nih.gov/26239189"},"language":"en","primary_location":{"id":"doi:10.1039/c5cp01489a","doi":"https://doi.org/10.1039/c5cp01489a","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c5cp01489a","pdf_url":null,"source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Chemistry Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101690046","display_name":"Haijun Pan","orcid":"https://orcid.org/0000-0003-1967-6863","observed_orcids":["https://orcid.org/0000-0003-1967-6863"]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN","US"],"is_corresponding":false,"raw_author_name":"Haijun Pan","raw_affiliation_strings":["College of Sciences","Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","Northeastern University","People's Republic of China","Shenyang 110819","College of Sciences, Northeastern University,Shenyang 110819,People's Republic of China","Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University,Shenyang 110819,People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Sciences","institution_ids":[]},{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","institution_ids":[]},{"raw_affiliation_string":"Northeastern University","institution_ids":["https://openalex.org/I12912129"]},{"raw_affiliation_string":"People's Republic of China","institution_ids":[]},{"raw_affiliation_string":"Shenyang 110819","institution_ids":[]},{"raw_affiliation_string":"College of Sciences, Northeastern University,Shenyang 110819,People's Republic of China","institution_ids":["https://openalex.org/I9224756"]},{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University,Shenyang 110819,People's Republic of China","institution_ids":["https://openalex.org/I9224756"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008454078","display_name":"Xiangying Meng","orcid":"https://orcid.org/0000-0003-2014-0652","observed_orcids":["https://orcid.org/0000-0003-2014-0652"]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN","US"],"is_corresponding":true,"raw_author_name":"Xiangying Meng","raw_affiliation_strings":["College of Sciences","Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","Northeastern University","People's Republic of China","Shenyang 110819","College of Sciences, Northeastern University,Shenyang 110819,People's Republic of China","Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University,Shenyang 110819,People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Sciences","institution_ids":[]},{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","institution_ids":[]},{"raw_affiliation_string":"Northeastern University","institution_ids":["https://openalex.org/I12912129"]},{"raw_affiliation_string":"People's Republic of China","institution_ids":[]},{"raw_affiliation_string":"Shenyang 110819","institution_ids":[]},{"raw_affiliation_string":"College of Sciences, Northeastern University,Shenyang 110819,People's Republic of China","institution_ids":["https://openalex.org/I9224756"]},{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University,Shenyang 110819,People's Republic of China","institution_ids":["https://openalex.org/I9224756"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Dongyan Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN","US"],"is_corresponding":false,"raw_author_name":"Dongyan Liu","raw_affiliation_strings":["College of Sciences","Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","Northeastern University","People's Republic of China","Shenyang 110819","College of Sciences, Northeastern University,Shenyang 110819,People's Republic of China","Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University,Shenyang 110819,People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Sciences","institution_ids":[]},{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","institution_ids":[]},{"raw_affiliation_string":"Northeastern University","institution_ids":["https://openalex.org/I12912129"]},{"raw_affiliation_string":"People's Republic of China","institution_ids":[]},{"raw_affiliation_string":"Shenyang 110819","institution_ids":[]},{"raw_affiliation_string":"College of Sciences, Northeastern University,Shenyang 110819,People's Republic of China","institution_ids":["https://openalex.org/I9224756"]},{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University,Shenyang 110819,People's Republic of China","institution_ids":["https://openalex.org/I9224756"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100701086","display_name":"Song Li","orcid":"https://orcid.org/0000-0002-9140-9973","observed_orcids":["https://orcid.org/0000-0002-9140-9973"]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Song Li","raw_affiliation_strings":["Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","Northeastern University","People's Republic of China","Shenyang 110819"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","institution_ids":[]},{"raw_affiliation_string":"Northeastern University","institution_ids":["https://openalex.org/I12912129"]},{"raw_affiliation_string":"People's Republic of China","institution_ids":[]},{"raw_affiliation_string":"Shenyang 110819","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5079960421","display_name":"Gaowu W. Qin","orcid":"https://orcid.org/0000-0002-0852-6715","observed_orcids":["https://orcid.org/0000-0002-0852-6715","https://orcid.org/0000-0001-5007-4989"]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gaowu Qin","raw_affiliation_strings":["Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","Northeastern University","People's Republic of China","Shenyang 110819"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education)","institution_ids":[]},{"raw_affiliation_string":"Northeastern University","institution_ids":["https://openalex.org/I12912129"]},{"raw_affiliation_string":"People's Republic of China","institution_ids":[]},{"raw_affiliation_string":"Shenyang 110819","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5008454078","https://openalex.org/A5079960421"],"corresponding_institution_ids":["https://openalex.org/I12912129","https://openalex.org/I9224756"],"apc_list":null,"apc_paid":null,"fwci":1.6188,"has_fulltext":false,"cited_by_count":48,"citation_normalized_percentile":{"value":0.8176583,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"17","issue":"34","first_page":"22179","last_page":"22186"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11877","display_name":"Iron oxide chemistry and applications","score":0.9951000213623047,"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/T11877","display_name":"Iron oxide chemistry and applications","score":0.9951000213623047,"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/T10078","display_name":"Advanced Photocatalysis Techniques","score":0.003599999938160181,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10024","display_name":"TiO2 Photocatalysis and Solar Cells","score":0.000699999975040555,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/hematite","display_name":"hematite","score":0.9800000190734863},{"id":"https://openalex.org/keywords/nitrogen-doping","display_name":"nitrogen doping","score":0.9449999928474426},{"id":"https://openalex.org/keywords/photoelectrochemical-water-splitting","display_name":"photoelectrochemical water splitting","score":0.7919999957084656},{"id":"https://openalex.org/keywords/band-gap-narrowing","display_name":"band gap narrowing","score":0.8149999976158142},{"id":"https://openalex.org/keywords/visible-light-absorption","display_name":"visible light absorption","score":0.8320000171661377},{"id":"https://openalex.org/keywords/charge-separation","display_name":"charge separation","score":0.546999990940094},{"id":"https://openalex.org/keywords/carrier-lifetime","display_name":"carrier lifetime","score":0.8550000190734863},{"id":"https://openalex.org/keywords/carrier-transport","display_name":"carrier transport","score":0.6740000247955322},{"id":"https://openalex.org/keywords/conduction-band-minimum","display_name":"conduction band minimum","score":0.7699999809265137},{"id":"https://openalex.org/keywords/valence-band-maximum","display_name":"valence band maximum","score":0.9850000143051147}],"concepts":[{"id":"https://openalex.org/C2779131772","wikidata":"https://www.wikidata.org/wiki/Q103223","display_name":"Hematite","level":2,"score":0.8915246725082397},{"id":"https://openalex.org/C35590869","wikidata":"https://www.wikidata.org/wiki/Q2697332","display_name":"Water splitting","level":4,"score":0.8523226976394653},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4575752913951874},{"id":"https://openalex.org/C65165184","wikidata":"https://www.wikidata.org/wiki/Q218831","display_name":"Photocatalysis","level":3,"score":0.4034661054611206},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.36862653493881226},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.36817607283592224},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.36408770084381104},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.3625065088272095},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.16674575209617615},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.1056688129901886},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.06857144832611084},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1039/c5cp01489a","doi":"https://doi.org/10.1039/c5cp01489a","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c5cp01489a","pdf_url":null,"source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Chemistry Chemical Physics","raw_type":"journal-article"},{"id":"pmid:26239189","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26239189","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical chemistry chemical physics : PCCP","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2389801927","display_name":"\u6c27\u5316\u94c1\u7eb3\u7c73\u7c92\u5b50\u5149\u50ac\u5316\u6d3b\u6027\u7684\u5916\u8868\u9762\u6307\u6570\u4f9d\u8d56\u673a\u7406\u4e0e\u63ba\u6742\u6548\u5e94\u7684\u7814\u7a76","funder_award_id":"51002026","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G862304020","display_name":"\u65b0\u578bMg-Gd-(Sn)\u5408\u91d1\u65f6\u6548\u6790\u51fa\u76f8\u7684\u7ed3\u6784\u6f14\u53d8\u7684\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u4e0e\u5b9e\u9a8c\u7814\u7a76","funder_award_id":"51001025","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":61,"referenced_works":["https://openalex.org/W1488488840","https://openalex.org/W1504927665","https://openalex.org/W1506981083","https://openalex.org/W1674790000","https://openalex.org/W1965901228","https://openalex.org/W1966983645","https://openalex.org/W1968748900","https://openalex.org/W1976555219","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1986527664","https://openalex.org/W1986731219","https://openalex.org/W1989218061","https://openalex.org/W1989722007","https://openalex.org/W1992011133","https://openalex.org/W1993291238","https://openalex.org/W2001142409","https://openalex.org/W2008455161","https://openalex.org/W2010011374","https://openalex.org/W2011702886","https://openalex.org/W2012391634","https://openalex.org/W2012752337","https://openalex.org/W2014806424","https://openalex.org/W2014867781","https://openalex.org/W2016262923","https://openalex.org/W2016444724","https://openalex.org/W2016620388","https://openalex.org/W2017670421","https://openalex.org/W2022964089","https://openalex.org/W2028787942","https://openalex.org/W2032147061","https://openalex.org/W2032616711","https://openalex.org/W2035476016","https://openalex.org/W2036001101","https://openalex.org/W2036113194","https://openalex.org/W2042492216","https://openalex.org/W2043954122","https://openalex.org/W2045614473","https://openalex.org/W2049876965","https://openalex.org/W2050662153","https://openalex.org/W2053589001","https://openalex.org/W2062973998","https://openalex.org/W2070095389","https://openalex.org/W2070393246","https://openalex.org/W2075612862","https://openalex.org/W2076843280","https://openalex.org/W2081197568","https://openalex.org/W2083197600","https://openalex.org/W2083222334","https://openalex.org/W2087499116","https://openalex.org/W2090976499","https://openalex.org/W2091239521","https://openalex.org/W2097118943","https://openalex.org/W2122518018","https://openalex.org/W2122902026","https://openalex.org/W2154469720","https://openalex.org/W2164115190","https://openalex.org/W2325620268","https://openalex.org/W2328119862","https://openalex.org/W2329565288","https://openalex.org/W2334590194"],"related_works":["https://openalex.org/W2973134163","https://openalex.org/W3037030935","https://openalex.org/W3202088523","https://openalex.org/W2075351663","https://openalex.org/W2915019939","https://openalex.org/W2018196912","https://openalex.org/W2021687896","https://openalex.org/W4403159191","https://openalex.org/W2021462551","https://openalex.org/W2557235074"],"abstract_inverted_index":{"In":[0],"this":[1],"theoretical":[2],"study,":[3],"first-principles":[4],"calculations":[5],"were":[6],"carried":[7],"out":[8],"to":[9,48,52,126],"explore":[10],"the":[11,35,39,43,59,62,73,81,101,106,122],"photocatalytic":[12,136],"activity":[13],"of":[14,38,66,130],"cation":[15],"(Ti":[16],"or":[17],"Zr)":[18],"and":[19,42,86],"anion":[20],"(N)":[21],"compensated":[22],"codoped":[23,33,67,132],"hematite":[24,68],"based":[25],"on":[26],"density":[27],"functional":[28],"theory":[29],"(DFT).":[30],"For":[31],"(Ti/Zr,N)":[32,131],"hematite,":[34,61,114,133],"band":[36,41,45,83,88],"edges":[37],"conduction":[40,82],"valence":[44,87],"move":[46],"close":[47],"each":[49],"other,":[50],"leading":[51],"an":[53,134],"obvious":[54],"bandgap":[55],"reduction.":[56],"Compared":[57],"with":[58],"pure":[60],"optical":[63],"absorption":[64],"coefficient":[65],"is":[69,91,97],"significantly":[70],"enhanced":[71],"in":[72,111,121],"visible":[74],"light":[75],"region.":[76],"The":[77],"charge":[78],"distribution":[79],"at":[80],"minimum":[84],"(CBM)":[85],"maximum":[89],"(VBM)":[90],"spatially":[92],"separated":[93],"after":[94],"codoping,":[95],"which":[96,115],"beneficial":[98],"for":[99],"extending":[100],"carrier":[102,118],"lifetime.":[103],"More":[104],"interestingly,":[105],"CBM":[107],"becomes":[108],"electronically":[109],"delocalized":[110],"(Ti,N)":[112],"doped":[113],"indicates":[116],"better":[117],"transport":[119],"properties":[120],"bulk":[123],"system.":[124],"Due":[125],"these":[127],"special":[128],"features":[129],"improved":[135],"performance":[137],"can":[138],"be":[139],"expected.":[140]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":7},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":3}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
