{"id":"https://openalex.org/W4308488183","doi":"https://doi.org/10.1016/j.physb.2022.414459","title":"Photocatalytic applicability of HfN and tuning it with Mg and Sc alloys: A DFT and molecular dynamic survey","display_name":"Photocatalytic applicability of HfN and tuning it with Mg and Sc alloys: A DFT and molecular dynamic survey","publication_year":2022,"publication_date":"2022-11-03","ids":{"openalex":"https://openalex.org/W4308488183","doi":"https://doi.org/10.1016/j.physb.2022.414459"},"language":"en","primary_location":{"id":"doi:10.1016/j.physb.2022.414459","doi":"https://doi.org/10.1016/j.physb.2022.414459","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.physb.2022.414459","pdf_url":null,"source":{"id":"https://openalex.org/S34296711","display_name":"Physica B Condensed Matter","issn_l":"0921-4526","issn":["0921-4526","1873-2135"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physica B: Condensed Matter","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5073468421","display_name":"Fatemeh Shirvani","orcid":"https://orcid.org/0000-0002-0579-0545","observed_orcids":["https://orcid.org/0000-0002-0579-0545"]},"institutions":[{"id":"https://openalex.org/I55547365","display_name":"Payame Noor University","ror":"https://ror.org/031699d98","country_code":"IR","type":"education","lineage":["https://openalex.org/I55547365"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Fatemeh Shirvani","raw_affiliation_strings":["Department of Physics, Payame Noor University, Tehran, Iran"],"raw_orcid":"https://orcid.org/0000-0002-0579-0545","affiliations":[{"raw_affiliation_string":"Department of Physics, Payame Noor University, Tehran, Iran","institution_ids":["https://openalex.org/I55547365"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037056975","display_name":"Aliasghar Shokri","orcid":"https://orcid.org/0000-0003-1976-5989","observed_orcids":["https://orcid.org/0000-0003-1976-5989"]},"institutions":[{"id":"https://openalex.org/I55547365","display_name":"Payame Noor University","ror":"https://ror.org/031699d98","country_code":"IR","type":"education","lineage":["https://openalex.org/I55547365"]},{"id":"https://openalex.org/I67080706","display_name":"Alzahra University","ror":"https://ror.org/013cdqc34","country_code":"IR","type":"education","lineage":["https://openalex.org/I67080706"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Aliasghar Shokri","raw_affiliation_strings":["Department of Physics, Payame Noor University, Tehran, Iran","Department of nanophysics, Faculty of Physics, Alzahra University, Tehran, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Payame Noor University, Tehran, Iran","institution_ids":["https://openalex.org/I55547365"]},{"raw_affiliation_string":"Department of nanophysics, Faculty of Physics, Alzahra University, Tehran, Iran","institution_ids":["https://openalex.org/I67080706"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5073468421"],"corresponding_institution_ids":["https://openalex.org/I55547365"],"apc_list":{"value":2640,"currency":"USD","value_usd":2640},"apc_paid":null,"fwci":1.5159,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.82078631,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"649","issue":null,"first_page":"414459","last_page":"414459"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10099","display_name":"GaN-based semiconductor devices and materials","score":0.6205999851226807,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10099","display_name":"GaN-based semiconductor devices and materials","score":0.6205999851226807,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10275","display_name":"2D Materials and Applications","score":0.11720000207424164,"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":0.062300000339746475,"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/hafnium-nitride","display_name":"hafnium nitride","score":1.0},{"id":"https://openalex.org/keywords/photocatalysis","display_name":"photocatalysis","score":0.6869999766349792},{"id":"https://openalex.org/keywords/rock-salt-structure","display_name":"rock salt structure","score":0.8690000176429749},{"id":"https://openalex.org/keywords/cubic-zinc-blende-structure","display_name":"cubic zinc blende structure","score":0.9829999804496765},{"id":"https://openalex.org/keywords/phonon-properties","display_name":"phonon properties","score":0.8450000286102295},{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.8109999895095825},{"id":"https://openalex.org/keywords/elastic-anisotropy","display_name":"elastic anisotropy","score":0.8339999914169312},{"id":"https://openalex.org/keywords/thermodynamic-properties","display_name":"thermodynamic properties","score":0.7680000066757202},{"id":"https://openalex.org/keywords/optical-absorption","display_name":"optical absorption","score":0.8529999852180481},{"id":"https://openalex.org/keywords/semiconductors","display_name":"semiconductors","score":0.47699999809265137}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7408642768859863},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7103192806243896},{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.5815611481666565},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.5165694952011108},{"id":"https://openalex.org/C108225325","wikidata":"https://www.wikidata.org/wiki/Q11456","display_name":"Semiconductor","level":2,"score":0.5141358971595764},{"id":"https://openalex.org/C94406020","wikidata":"https://www.wikidata.org/wiki/Q900371","display_name":"Bulk modulus","level":2,"score":0.5119012594223022},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.49759915471076965},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.4811781346797943},{"id":"https://openalex.org/C85725439","wikidata":"https://www.wikidata.org/wiki/Q466686","display_name":"Anisotropy","level":2,"score":0.45584505796432495},{"id":"https://openalex.org/C193154288","wikidata":"https://www.wikidata.org/wiki/Q959336","display_name":"Direct and indirect band gaps","level":3,"score":0.43479055166244507},{"id":"https://openalex.org/C546638069","wikidata":"https://www.wikidata.org/wiki/Q1119","display_name":"Hafnium","level":3,"score":0.42324477434158325},{"id":"https://openalex.org/C119824511","wikidata":"https://www.wikidata.org/wiki/Q13553575","display_name":"Absorption spectroscopy","level":2,"score":0.41930609941482544},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.36931800842285156},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.23180338740348816},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.20044580101966858},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.1524428129196167},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.1324896514415741},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.11106470227241516},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0629332959651947},{"id":"https://openalex.org/C534791751","wikidata":"https://www.wikidata.org/wiki/Q1038","display_name":"Zirconium","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.physb.2022.414459","doi":"https://doi.org/10.1016/j.physb.2022.414459","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.physb.2022.414459","pdf_url":null,"source":{"id":"https://openalex.org/S34296711","display_name":"Physica B Condensed Matter","issn_l":"0921-4526","issn":["0921-4526","1873-2135"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physica B: Condensed Matter","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":65,"referenced_works":["https://openalex.org/W1502327459","https://openalex.org/W1972128701","https://openalex.org/W1979162558","https://openalex.org/W1981368803","https://openalex.org/W1984003326","https://openalex.org/W1990325270","https://openalex.org/W1993102955","https://openalex.org/W1994752816","https://openalex.org/W2014385124","https://openalex.org/W2018299593","https://openalex.org/W2018708213","https://openalex.org/W2020151436","https://openalex.org/W2027231172","https://openalex.org/W2028919804","https://openalex.org/W2039595689","https://openalex.org/W2041926223","https://openalex.org/W2054935552","https://openalex.org/W2060310388","https://openalex.org/W2073008774","https://openalex.org/W2076055602","https://openalex.org/W2077148301","https://openalex.org/W2090135568","https://openalex.org/W2103942044","https://openalex.org/W2112638150","https://openalex.org/W2120145199","https://openalex.org/W2146349866","https://openalex.org/W2147699377","https://openalex.org/W2150539921","https://openalex.org/W2158532664","https://openalex.org/W2288102383","https://openalex.org/W2327908080","https://openalex.org/W2502737846","https://openalex.org/W2558354893","https://openalex.org/W2572874537","https://openalex.org/W2735999352","https://openalex.org/W2748311356","https://openalex.org/W2783493167","https://openalex.org/W2787058971","https://openalex.org/W2806294570","https://openalex.org/W2908598264","https://openalex.org/W2949869836","https://openalex.org/W2963840410","https://openalex.org/W2965005743","https://openalex.org/W3003898146","https://openalex.org/W3038928314","https://openalex.org/W3047837353","https://openalex.org/W3091354799","https://openalex.org/W3091819041","https://openalex.org/W3105153431","https://openalex.org/W3128806680","https://openalex.org/W3152577074","https://openalex.org/W3158411838","https://openalex.org/W3160908423","https://openalex.org/W3165891829","https://openalex.org/W3171564716","https://openalex.org/W3208242054","https://openalex.org/W3214521871","https://openalex.org/W3216164091","https://openalex.org/W4200072212","https://openalex.org/W4205208971","https://openalex.org/W4205538048","https://openalex.org/W4206826463","https://openalex.org/W4210472552","https://openalex.org/W4213267136","https://openalex.org/W4220990257"],"related_works":["https://openalex.org/W2068820361","https://openalex.org/W4285160330","https://openalex.org/W2747870055","https://openalex.org/W3114970272","https://openalex.org/W2172448905","https://openalex.org/W2978259764","https://openalex.org/W4390742599","https://openalex.org/W970676161","https://openalex.org/W1974047129","https://openalex.org/W4312044974"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":7}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2022-11-12T00:00:00"}
