{"id":"https://openalex.org/W4409429136","doi":"https://doi.org/10.1021/acsmaterialsau.5c00010","title":"Design Strategies for Coupling CO2 Reduction Molecular Electrocatalysts to Silicon Photocathodes","display_name":"Design Strategies for Coupling CO2 Reduction Molecular Electrocatalysts to Silicon Photocathodes","publication_year":2025,"publication_date":"2025-04-14","ids":{"openalex":"https://openalex.org/W4409429136","doi":"https://doi.org/10.1021/acsmaterialsau.5c00010","pmid":"https://pubmed.ncbi.nlm.nih.gov/40385957"},"language":"en","primary_location":{"id":"doi:10.1021/acsmaterialsau.5c00010","doi":"https://doi.org/10.1021/acsmaterialsau.5c00010","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsmaterialsau.5c00010","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acsmaterialsau.5c00010?ref=article_openPDF","source":{"id":"https://openalex.org/S4210204497","display_name":"ACS Materials Au","issn_l":"2694-2461","issn":["2694-2461"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Materials Au","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acsmaterialsau.5c00010?ref=article_openPDF","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5000147499","display_name":"Simran S. Saund","orcid":"https://orcid.org/0000-0002-7278-5068","observed_orcids":["https://orcid.org/0000-0002-7278-5068"]},"institutions":[{"id":"https://openalex.org/I1297288678","display_name":"National Laboratory of the Rockies","ror":"https://ror.org/036266993","country_code":"US","type":"facility","lineage":["https://openalex.org/I1297288678","https://openalex.org/I1330989302","https://openalex.org/I2800842121"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Simran S. Saund","raw_affiliation_strings":["Chemistry and Nanoscience Center","National Renewable Energy Laboratory"],"raw_orcid":"https://orcid.org/0000-0002-7278-5068","affiliations":[{"raw_affiliation_string":"Chemistry and Nanoscience Center","institution_ids":[]},{"raw_affiliation_string":"National Renewable Energy Laboratory","institution_ids":["https://openalex.org/I1297288678"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046536091","display_name":"Melissa K. Gish","orcid":"https://orcid.org/0000-0002-9886-3626","observed_orcids":["https://orcid.org/0000-0002-9886-3626"]},"institutions":[{"id":"https://openalex.org/I1297288678","display_name":"National Laboratory of the Rockies","ror":"https://ror.org/036266993","country_code":"US","type":"facility","lineage":["https://openalex.org/I1297288678","https://openalex.org/I1330989302","https://openalex.org/I2800842121"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Melissa K. Gish","raw_affiliation_strings":["Chemistry and Nanoscience Center","National Renewable Energy Laboratory"],"raw_orcid":"https://orcid.org/0000-0002-9886-3626","affiliations":[{"raw_affiliation_string":"Chemistry and Nanoscience Center","institution_ids":[]},{"raw_affiliation_string":"National Renewable Energy Laboratory","institution_ids":["https://openalex.org/I1297288678"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5098532227","display_name":"Jeremiah C. Choate","orcid":"https://orcid.org/0000-0003-2239-2634","observed_orcids":["https://orcid.org/0000-0003-2239-2634"]},"institutions":[{"id":"https://openalex.org/I1174212","display_name":"University of Southern California","ror":"https://ror.org/03taz7m60","country_code":"US","type":"education","lineage":["https://openalex.org/I1174212"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeremiah Choate","raw_affiliation_strings":["Department of Chemistry","University of Southern California"],"raw_orcid":"https://orcid.org/0000-0003-2239-2634","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Southern California","institution_ids":["https://openalex.org/I1174212"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072798718","display_name":"Trung Le","orcid":"https://orcid.org/0000-0003-3913-8966","observed_orcids":["https://orcid.org/0000-0003-3913-8966"]},"institutions":[{"id":"https://openalex.org/I1297288678","display_name":"National Laboratory of the Rockies","ror":"https://ror.org/036266993","country_code":"US","type":"facility","lineage":["https://openalex.org/I1297288678","https://openalex.org/I1330989302","https://openalex.org/I2800842121"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Trung H. Le","raw_affiliation_strings":["Chemistry and Nanoscience Center","National Renewable Energy Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry and Nanoscience Center","institution_ids":[]},{"raw_affiliation_string":"National Renewable Energy Laboratory","institution_ids":["https://openalex.org/I1297288678"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065193423","display_name":"Smaranda C. Marinescu","orcid":"https://orcid.org/0000-0003-2106-8971","observed_orcids":["https://orcid.org/0000-0003-2106-8971"]},"institutions":[{"id":"https://openalex.org/I1174212","display_name":"University of Southern California","ror":"https://ror.org/03taz7m60","country_code":"US","type":"education","lineage":["https://openalex.org/I1174212"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Smaranda C. Marinescu","raw_affiliation_strings":["Department of Chemistry","University of Southern California"],"raw_orcid":"https://orcid.org/0000-0003-2106-8971","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Southern California","institution_ids":["https://openalex.org/I1174212"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5055704643","display_name":"Nathan R. Neale","orcid":"https://orcid.org/0000-0001-5654-1664","observed_orcids":["https://orcid.org/0000-0001-5654-1664"]},"institutions":[{"id":"https://openalex.org/I1297288678","display_name":"National Laboratory of the Rockies","ror":"https://ror.org/036266993","country_code":"US","type":"facility","lineage":["https://openalex.org/I1297288678","https://openalex.org/I1330989302","https://openalex.org/I2800842121"]},{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Nathan R. Neale","raw_affiliation_strings":["Chemistry and Nanoscience Center","National Renewable Energy Laboratory","Renewable and Sustainable Energy Institute","University of Colorado Boulder"],"raw_orcid":"https://orcid.org/0000-0001-5654-1664","affiliations":[{"raw_affiliation_string":"Chemistry and Nanoscience Center","institution_ids":[]},{"raw_affiliation_string":"National Renewable Energy Laboratory","institution_ids":["https://openalex.org/I1297288678"]},{"raw_affiliation_string":"Renewable and Sustainable Energy Institute","institution_ids":[]},{"raw_affiliation_string":"University of Colorado Boulder","institution_ids":["https://openalex.org/I188538660"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5055704643"],"corresponding_institution_ids":["https://openalex.org/I1297288678","https://openalex.org/I188538660"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":{"value":3500,"currency":"USD","value_usd":3500},"fwci":0.8512,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.667299,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"5","issue":"3","first_page":"569","last_page":"579"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10078","display_name":"Advanced Photocatalysis Techniques","score":0.861299991607666,"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"}},"topics":[{"id":"https://openalex.org/T10078","display_name":"Advanced Photocatalysis Techniques","score":0.861299991607666,"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/T11784","display_name":"CO2 Reduction Techniques and Catalysts","score":0.12520000338554382,"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":0.0012000000569969416,"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/co2-reduction","display_name":"CO2 reduction","score":0.9750000238418579},{"id":"https://openalex.org/keywords/silicon-nanocrystals","display_name":"silicon nanocrystals","score":0.8730000257492065},{"id":"https://openalex.org/keywords/molecular-electrocatalysts","display_name":"molecular electrocatalysts","score":0.8730000257492065},{"id":"https://openalex.org/keywords/rhenium-complexes","display_name":"rhenium complexes","score":0.8149999976158142},{"id":"https://openalex.org/keywords/photocathodes","display_name":"photocathodes","score":0.8740000128746033},{"id":"https://openalex.org/keywords/boron-doped-silicon","display_name":"boron-doped silicon","score":0.8220000267028809},{"id":"https://openalex.org/keywords/conduction-band-alignment","display_name":"conduction band alignment","score":0.6959999799728394},{"id":"https://openalex.org/keywords/frontier-molecular-orbitals","display_name":"frontier molecular orbitals","score":0.828000009059906},{"id":"https://openalex.org/keywords/quantum-confinement","display_name":"quantum confinement","score":0.6420000195503235},{"id":"https://openalex.org/keywords/transient-absorption-spectroscopy","display_name":"transient absorption spectroscopy","score":0.75},{"id":"https://openalex.org/keywords/photocatalytic-hydrogen-production","display_name":"photocatalytic hydrogen evolution","score":0.5049999952316284}],"concepts":[{"id":"https://openalex.org/C544956773","wikidata":"https://www.wikidata.org/wiki/Q670","display_name":"Silicon","level":2,"score":0.6547806859016418},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.6484665870666504},{"id":"https://openalex.org/C111335779","wikidata":"https://www.wikidata.org/wiki/Q3454686","display_name":"Reduction (mathematics)","level":2,"score":0.6270624399185181},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5222592949867249},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.4317685663700104},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.40507498383522034},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.1430266797542572},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1021/acsmaterialsau.5c00010","doi":"https://doi.org/10.1021/acsmaterialsau.5c00010","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsmaterialsau.5c00010","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acsmaterialsau.5c00010?ref=article_openPDF","source":{"id":"https://openalex.org/S4210204497","display_name":"ACS Materials Au","issn_l":"2694-2461","issn":["2694-2461"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Materials Au","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:12082352","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12082352","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Mater Au","raw_type":"Text"},{"id":"pmid:40385957","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40385957","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":"ACS materials Au","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:368091844c194e5ba83e5d1c1e76a6b9","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/368091844c194e5ba83e5d1c1e76a6b9","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ACS Materials Au, Vol 5, Iss 3, Pp 569-579 (2025)","raw_type":"article"},{"id":"pmh:oai:osti.gov:2556911","doi":null,"is_oa":false,"landing_page_url":"https://www.osti.gov/biblio/2556911","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null}],"best_oa_location":{"id":"doi:10.1021/acsmaterialsau.5c00010","doi":"https://doi.org/10.1021/acsmaterialsau.5c00010","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsmaterialsau.5c00010","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acsmaterialsau.5c00010?ref=article_openPDF","source":{"id":"https://openalex.org/S4210204497","display_name":"ACS Materials Au","issn_l":"2694-2461","issn":["2694-2461"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Materials Au","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.75,"display_name":"Affordable and clean energy"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G14908310","display_name":null,"funder_award_id":"DE -AC36-08GO28308","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1723423531","display_name":null,"funder_award_id":"AC36-08GO28308","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G566293355","display_name":null,"funder_award_id":"DE\u2010AC36\u201008GO28308","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G6796042841","display_name":null,"funder_award_id":"08GO28308","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G7021897321","display_name":null,"funder_award_id":"08GO28308","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7626931543","display_name":null,"funder_award_id":"AC36-","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G8142658735","display_name":null,"funder_award_id":"DE-AC36","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G834333836","display_name":null,"funder_award_id":"DE-AC36-08GO28308","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G847654844","display_name":null,"funder_award_id":"Contract No. DE-AC36-08GO28308","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G944719100","display_name":null,"funder_award_id":"AC36\u201008GO28308","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4409429136.pdf","grobid_xml":"https://content.openalex.org/works/W4409429136.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W1771474729","https://openalex.org/W1863547811","https://openalex.org/W1971113415","https://openalex.org/W1976055505","https://openalex.org/W1999667084","https://openalex.org/W2007525166","https://openalex.org/W2036452223","https://openalex.org/W2037366627","https://openalex.org/W2041033937","https://openalex.org/W2050771666","https://openalex.org/W2073196657","https://openalex.org/W2084302397","https://openalex.org/W2090314602","https://openalex.org/W2095068367","https://openalex.org/W2122504189","https://openalex.org/W2137751005","https://openalex.org/W2224047030","https://openalex.org/W2287000959","https://openalex.org/W2400024430","https://openalex.org/W2426654957","https://openalex.org/W2475174241","https://openalex.org/W2510295058","https://openalex.org/W2590207232","https://openalex.org/W2625281796","https://openalex.org/W2769302956","https://openalex.org/W2774854035","https://openalex.org/W2782051377","https://openalex.org/W2802108065","https://openalex.org/W2913401105","https://openalex.org/W2944018180","https://openalex.org/W2965118810","https://openalex.org/W2971135671","https://openalex.org/W2987038921","https://openalex.org/W2993490411","https://openalex.org/W3000167214","https://openalex.org/W3080486110","https://openalex.org/W3125341590","https://openalex.org/W3149414685","https://openalex.org/W3185932597","https://openalex.org/W3217689306","https://openalex.org/W4220877476","https://openalex.org/W4293077081","https://openalex.org/W4310289590","https://openalex.org/W4312114896","https://openalex.org/W4366452872","https://openalex.org/W4380319155","https://openalex.org/W4385281040","https://openalex.org/W4385856185","https://openalex.org/W4387581446","https://openalex.org/W4389636288","https://openalex.org/W4392162521","https://openalex.org/W4392972497","https://openalex.org/W4400031753","https://openalex.org/W4400495053","https://openalex.org/W4402402423","https://openalex.org/W4408047823","https://openalex.org/W4408225755"],"related_works":["https://openalex.org/W3011831393","https://openalex.org/W2518845051","https://openalex.org/W2038256311","https://openalex.org/W2516241657","https://openalex.org/W2389680235","https://openalex.org/W2895059647","https://openalex.org/W2366625390","https://openalex.org/W2115046010","https://openalex.org/W2532234348","https://openalex.org/W2029264063"],"abstract_inverted_index":{"High":[0],"Resolution":[1],"Image":[2],"Download":[3],"MS":[4],"PowerPoint":[5],"Slide":[6],"We":[7,91,173],"explore":[8],"strategies":[9,95],"for":[10,28,78,209,218],"enhancing":[11],"the":[12,48,64,98,110,121,126,130,164,175,188,192,210],"electronic":[13],"interaction":[14],"between":[15,153,187],"silicon":[16,146],"nanocrystals":[17],"(Si":[18],"NCs)":[19],"and":[20,42,71,85,103,124,149,157,181,191,200,222],"surface-tethered":[21],"molecular":[22,68,74,106],"Re":[23],"electrocatalysts":[24],"([Re])":[25],"as":[26,117],"models":[27],"CO":[29,219],"2":[30,160,220],"-reducing":[31],"photocathodes.":[32],"Using":[33],"density":[34],"functional":[35],"theory":[36],"(DFT)":[37],"combined":[38],"with":[39],"electrochemical,":[40],"spectroscopic,":[41],"photocatalytic":[43,225],"measurements,":[44],"we":[45],"determine":[46],"that":[47],"intrinsic":[49],"Si":[50,88,112,122,214],"(":[51],"i":[52,59,87,111],"Si)":[53],"NC":[54,113,179,190],"conduction":[55,100],"band":[56,101],"energy":[57],"in":[58,120],"Si\u2013[Re]":[60],"assemblies":[61],"is":[62],"below":[63],"[Re]":[65,131,178,194],"lowest":[66],"unoccupied":[67],"orbital":[69,75],"(LUMO)":[70],"singly":[72],"occupied":[73],"energies":[76],"even":[77],"strongly":[79],"quantum-confined":[80],"3.0\u20133.9":[81],"nm":[82],"diameter":[83],"hydrogen-":[84],"methyl-terminated":[86],"NCs,":[89],"respectively.":[90],"computationally":[92],"analyze":[93],"design":[94,211],"to":[96,129],"align":[97],"semiconductor":[99],"edge":[102],"electrocatalyst":[104,165,195,216],"frontier":[105],"orbitals":[107],"by":[108],"varying":[109],"size,":[114],"introducing":[115],"boron":[116],"a":[118,140,150,154,207],"dopant":[119],"NC,":[123],"modifying":[125],"attachment":[127],"chemistry":[128],"complex":[132],"aryl":[133,167],"ligand":[134,169],"framework.":[135],"Our":[136],"DFT":[137],"analysis":[138],"identifies":[139],"target":[141],"hybrid":[142],"structure":[143],"featuring":[144],"B-doped":[145],"(B:Si)":[147],"NCs":[148],"direct":[151,185],"bond":[152],"surface":[155,193],"atom":[156],"an":[158],"sp":[159],"-hybridized":[161],"carbon":[162],"of":[163,184,212],"bipyridine":[166],"ring":[168],"(B:Si\u2013C":[170],"Ar":[171,177],"[Re]).":[172],"synthesize":[174],"B:Si\u2013C":[176],"assembly":[180],"find":[182],"evidence":[183],"hybridization":[186],"B:Si":[189],"LUMO":[196],"using":[197],"electrochemical":[198],"measurements":[199],"transient":[201],"absorption":[202],"spectroscopy.":[203],"This":[204],"work":[205],"provides":[206],"blueprint":[208],"new":[213],"photocathode-molecular":[215],"hybrids":[217],"reduction":[221],"related":[223],"fuel-forming":[224],"conversions.":[226]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":2}],"updated_date":"2026-09-29T14:09:16.559479","created_date":"2025-10-10T00:00:00"}
