{"id":115,"date":"2026-04-16T06:15:05","date_gmt":"2026-04-16T06:15:05","guid":{"rendered":"https:\/\/citations.tools.bio-logic.fr\/?p=115"},"modified":"2026-04-16T06:15:05","modified_gmt":"2026-04-16T06:15:05","slug":"combined-theoretical-and-experimental-investigations-of-atomic-doping-to-enhance-photon-absorption-and-carrier-transport-of-lafeo3-photocathodes","status":"publish","type":"post","link":"https:\/\/citations.tools.bio-logic.fr\/?p=115","title":{"rendered":"Combined Theoretical and Experimental Investigations of Atomic Doping To Enhance Photon Absorption and Carrier Transport of LaFeO<sub>3<\/sub> Photocathodes"},"content":{"rendered":"<h4>DOI:<\/h4>\n<p><a href=\"https:\/\/doi.org\/10.1021\/acs.chemmater.9b02141\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.chemmater.9b02141<\/a><\/p>\n<h4>Authors:<\/h4>\n<p>Garrett P. Wheeler, Valentin Urena Baltazar, Tyler J. Smart, Andjela Radmilovic, Yuan Ping, Kyoung\u2010Shin Choi<\/p>\n<h4>Abstract:<\/h4>\n<p>Perovskite-type lanthanum iron oxide, LaFeO<sub>3<\/sub>, is a p-type semiconductor that can achieve overall water splitting using visible light while maintaining photostability. These features make LaFeO<sub>3<\/sub> a promising photocathode candidate for various photoelectrochemical cells. Currently, the photoelectrochemical performance of a LaFeO<sub>3<\/sub> photocathode is mainly limited by considerable bulk electron-hole recombination. This study reports a combined theoretical and experimental investigation on atomic doping of LaFeO<sub>3<\/sub>, in particular, substitutional doping of La<sup>3+<\/sup> with K<sup>+<\/sup>, to increase its charge transport properties and decrease electron-hole recombination. The computational results show that K doping enhances not only the charge transport properties but also photon absorption below the bandgap energy of the pristine LaFeO<sub>3<\/sub>. The effect of K doping was systematically investigated by comparing the electronic and atomic structures, majority carrier density, hole-polaron formation, and optical properties of pristine and K-doped LaFeO<sub>3<\/sub>. The computational results were then verified by experimentally characterizing the crystal structures, compositions, optical properties, and photoelectrochemical properties of LaFeO<sub>3<\/sub> and K-doped LaFeO<sub>3<\/sub> electrodes. For this purpose, pristine LaFeO<sub>3<\/sub> and K-doped LaFeO<sub>3<\/sub> were prepared as high-surface-area, high-purity photoelectrodes having the same morphology to accurately and unambiguously evaluate the effect of K doping. Here, the combined computational and experimental investigations presented in this study provide useful insights into the effect of composition tuning of LaFeO<sub>3<\/sub> and other p-type oxides with a perovskite structure.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>DOI: 10.1021\/acs.chemmater.9b02141 Authors: Garrett P. Wheeler, Valentin Urena Baltazar, Tyler J. Smart, Andjela Radmilovic, Yuan Ping, Kyoung\u2010Shin Choi Abstract: Perovskite-type lanthanum iron oxide, LaFeO3, is a p-type semiconductor that can achieve overall water splitting using visible light while maintaining photostability. These features make LaFeO3 a promising photocathode candidate for various photoelectrochemical cells. Currently, the photoelectrochemical [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[3],"tags":[],"class_list":["post-115","post","type-post","status-publish","format-standard","hentry","category-blurev-rde-rrde"],"_links":{"self":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/posts\/115","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=115"}],"version-history":[{"count":0,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/posts\/115\/revisions"}],"wp:attachment":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=115"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=115"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=115"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}