{"id":"https://openalex.org/W4404765173","doi":"https://doi.org/10.3390/computation12120234","title":"Application of Smart Condensed H-Adsorption Nanocomposites in Batteries: Energy Storage Systems and DFT Computations","display_name":"Application of Smart Condensed H-Adsorption Nanocomposites in Batteries: Energy Storage Systems and DFT Computations","publication_year":2024,"publication_date":"2024-11-27","ids":{"openalex":"https://openalex.org/W4404765173","doi":"https://doi.org/10.3390/computation12120234"},"language":"en","primary_location":{"id":"doi:10.3390/computation12120234","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation12120234","pdf_url":"https://www.mdpi.com/2079-3197/12/12/234/pdf?version=1732691554","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/12/12/234/pdf?version=1732691554","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011324707","display_name":"Fatemeh Mollaamin","orcid":"https://orcid.org/0000-0002-6896-336X"},"institutions":[{"id":"https://openalex.org/I98905743","display_name":"Kastamonu University","ror":"https://ror.org/015scty35","country_code":"TR","type":"education","lineage":["https://openalex.org/I98905743"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Fatemeh Mollaamin","raw_affiliation_strings":["Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, Kastamonu 37150, Turkey"],"raw_orcid":"https://orcid.org/0000-0002-6896-336X","affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, Kastamonu 37150, Turkey","institution_ids":["https://openalex.org/I98905743"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018422073","display_name":"Majid Monajjemi","orcid":"https://orcid.org/0000-0002-6665-837X"},"institutions":[{"id":"https://openalex.org/I41775361","display_name":"Islamic Azad University Central Tehran Branch","ror":"https://ror.org/03a11m818","country_code":"IR","type":"education","lineage":["https://openalex.org/I110525433","https://openalex.org/I41775361"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Majid Monajjemi","raw_affiliation_strings":["Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran 1496969191, Iran"],"raw_orcid":"https://orcid.org/0000-0002-6665-837X","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran 1496969191, Iran","institution_ids":["https://openalex.org/I41775361"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5011324707"],"corresponding_institution_ids":["https://openalex.org/I98905743"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":1.2017,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.79806638,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"12","issue":"12","first_page":"234","last_page":"234"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"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/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/energy-storage","display_name":"Energy storage","score":0.6819056868553162},{"id":"https://openalex.org/keywords/adsorption","display_name":"Adsorption","score":0.6744675040245056},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.6189594864845276},{"id":"https://openalex.org/keywords/nanocomposite","display_name":"Nanocomposite","score":0.6089824438095093},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.5781572461128235},{"id":"https://openalex.org/keywords/chemical-engineering","display_name":"Chemical engineering","score":0.4327232241630554},{"id":"https://openalex.org/keywords/hydrogen-storage","display_name":"Hydrogen storage","score":0.4179019033908844},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.34042224287986755},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.318284809589386},{"id":"https://openalex.org/keywords/composite-material","display_name":"Composite material","score":0.2712894082069397},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2632058560848236},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.21550226211547852},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.20543456077575684},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.13755416870117188},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.12564441561698914},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.08537611365318298}],"concepts":[{"id":"https://openalex.org/C73916439","wikidata":"https://www.wikidata.org/wiki/Q837718","display_name":"Energy storage","level":3,"score":0.6819056868553162},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.6744675040245056},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.6189594864845276},{"id":"https://openalex.org/C92880739","wikidata":"https://www.wikidata.org/wiki/Q2639556","display_name":"Nanocomposite","level":2,"score":0.6089824438095093},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5781572461128235},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.4327232241630554},{"id":"https://openalex.org/C68044625","wikidata":"https://www.wikidata.org/wiki/Q1203442","display_name":"Hydrogen storage","level":3,"score":0.4179019033908844},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.34042224287986755},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.318284809589386},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.2712894082069397},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2632058560848236},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.21550226211547852},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.20543456077575684},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.13755416870117188},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.12564441561698914},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.08537611365318298},{"id":"https://openalex.org/C2780026712","wikidata":"https://www.wikidata.org/wiki/Q37756","display_name":"Alloy","level":2,"score":0.0},{"id":"https://openalex.org/C163258240","wikidata":"https://www.wikidata.org/wiki/Q25342","display_name":"Power (physics)","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/computation12120234","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation12120234","pdf_url":"https://www.mdpi.com/2079-3197/12/12/234/pdf?version=1732691554","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:9c317bb57d1d40a5948df2b6858a6f2d","is_oa":true,"landing_page_url":"https://doaj.org/article/9c317bb57d1d40a5948df2b6858a6f2d","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation, Vol 12, Iss 12, p 234 (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/computation12120234","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation12120234","pdf_url":"https://www.mdpi.com/2079-3197/12/12/234/pdf?version=1732691554","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.8799999952316284}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4404765173.pdf"},"referenced_works_count":48,"referenced_works":["https://openalex.org/W2023271753","https://openalex.org/W2038533471","https://openalex.org/W2062852634","https://openalex.org/W2092157292","https://openalex.org/W2093914988","https://openalex.org/W2094343360","https://openalex.org/W2096443962","https://openalex.org/W2230728100","https://openalex.org/W2328282555","https://openalex.org/W2335548734","https://openalex.org/W2572184500","https://openalex.org/W2924278232","https://openalex.org/W2963352547","https://openalex.org/W3015475757","https://openalex.org/W3098413493","https://openalex.org/W3111290622","https://openalex.org/W3144422471","https://openalex.org/W3201854817","https://openalex.org/W4220869309","https://openalex.org/W4284675255","https://openalex.org/W4307944348","https://openalex.org/W4313259483","https://openalex.org/W4313418570","https://openalex.org/W4365815302","https://openalex.org/W4372347297","https://openalex.org/W4385834283","https://openalex.org/W4386712650","https://openalex.org/W4389297152","https://openalex.org/W4390815720","https://openalex.org/W4390917844","https://openalex.org/W4391932221","https://openalex.org/W4391946876","https://openalex.org/W4392238509","https://openalex.org/W4394815649","https://openalex.org/W4396907331","https://openalex.org/W4399121857","https://openalex.org/W4399122160","https://openalex.org/W4399320624","https://openalex.org/W4399321301","https://openalex.org/W4400874954","https://openalex.org/W4400885471","https://openalex.org/W4401411887","https://openalex.org/W4401587640","https://openalex.org/W4403464636","https://openalex.org/W4403464651","https://openalex.org/W6792498280","https://openalex.org/W6865254951","https://openalex.org/W6870910018"],"related_works":["https://openalex.org/W1483110363","https://openalex.org/W3144433931","https://openalex.org/W2368847095","https://openalex.org/W1929348402","https://openalex.org/W2392416149","https://openalex.org/W2593046233","https://openalex.org/W4307686465","https://openalex.org/W2411146788","https://openalex.org/W4318302308","https://openalex.org/W1585427834"],"abstract_inverted_index":{"A":[0],"comprehensive":[1],"investigation":[2],"of":[3,9,11,29,41,55,67,118,123,164,172],"hydrogen":[4,119],"grabbing":[5],"towards":[6],"the":[7,25,38,42,63,101,113,116,170],"formation":[8],"hetero-clusters":[10,163],"AlGaN\u2013H,":[12],"Si\u2013AlGaN\u2013H,":[13],"Ge\u2013AlGaN\u2013H,":[14],"Pd\u2013AlGaN\u2013H,":[15],"and":[16,135],"Pt\u2013AlGaN\u2013H":[17],"was":[18],"carried":[19],"out":[20],"using":[21],"DFT":[22],"computations":[23],"at":[24,146],"CAM\u2013B3LYP\u2013D3/6-311+G":[26],"(d,p)":[27],"level":[28],"theory.":[30],"The":[31,121],"notable":[32],"fragile":[33],"signal":[34],"intensity":[35],"close":[36],"to":[37,48,78,144],"parallel":[39],"edge":[40],"nanocluster":[43],"sample":[44],"might":[45,106,168],"be":[46,93,159],"owing":[47],"silicon":[49,150],"or":[50,57,72,97,104,125,140,151,166],"germanium":[51,152],"binding-induced":[52],"non-spherical":[53],"distribution":[54],"Si\u2013AlGaN":[56],"Ge\u2013AlGaN":[58],"hetero-clusters.":[59],"Based":[60],"on":[61],"TDOS,":[62],"excessive":[64],"growth":[65],"technique":[66],"doping":[68,142,153],"silicon,":[69],"germanium,":[70],"palladium,":[71],"platinum":[73,98,124,139],"is":[74],"a":[75,87],"potential":[76],"approach":[77],"designing":[79],"high-efficiency":[80],"hybrid":[81],"semipolar":[82],"gallium":[83,129],"nitride":[84,130],"devices":[85,143],"in":[86,100,115,174],"long-wavelength":[88],"zone.":[89],"Therefore,":[90],"it":[91,157],"can":[92,158],"considered":[94],"that":[95,161],"palladium":[96,126,141],"atoms":[99],"functionalized":[102],"Pd\u2013AlGaN":[103,165],"Pt\u2013AlGaN":[105,167],"have":[107],"more":[108],"impressive":[109],"sensitivity":[110],"for":[111,177],"accepting":[112],"electrons":[114],"process":[117],"adsorption.":[120],"advantages":[122],"over":[127],"aluminum":[128],"include":[131],"its":[132],"higher":[133,147],"electron":[134],"hole":[136],"mobility,":[137],"allowing":[138],"operate":[145],"frequencies":[148],"than":[149],"devices.":[154],"In":[155],"fact,":[156],"observed":[160],"doped":[162],"ameliorate":[169],"capability":[171],"AlGaN":[173],"transistor":[175],"cells":[176],"energy":[178],"storage.":[179]},"counts_by_year":[{"year":2025,"cited_by_count":6}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
