Matches in SemOpenAlex for { <https://semopenalex.org/work/W4384200502> ?p ?o ?g. }
- W4384200502 abstract "First-principles density-functional theory calculations were performed to reveal the effect of surface polarization and structural deformation on the formation and stabilization of the polaron in two-dimensional Ruddlesden–Popper perovskites. Our results revealed that the orientational distribution of organic cations induces surface polarization. The surface dipole moment can be well featured by the c axis distances between N and the nearest I atoms. Structural deformation and surface dipole moments result in separate real-space distributions of hole and electron polarons. Our results also reveal that the structural deformation of the [PbI6] sublattices and surface polarization are closely related to the reorientation of organic cations and can be effectively modulated by it. This reorientation significantly impacts the stabilization of polarons. Our understandings provide insight into the nature of polarons in two-dimensional Ruddlesden–Popper perovskites and general guidance for the proper selection of organic cations in two-dimensional perovskites for suitable applications in photovoltaic and optoelectronic devices." @default.
- W4384200502 created "2023-07-14" @default.
- W4384200502 creator A5004916075 @default.
- W4384200502 creator A5006294625 @default.
- W4384200502 creator A5015658504 @default.
- W4384200502 creator A5026238117 @default.
- W4384200502 creator A5030654065 @default.
- W4384200502 creator A5035927722 @default.
- W4384200502 creator A5046225683 @default.
- W4384200502 creator A5063248219 @default.
- W4384200502 date "2023-07-13" @default.
- W4384200502 modified "2023-10-11" @default.
- W4384200502 title "Effect of surface polarization and structural deformation on the formation and stabilization of polarons in two-dimensional Ruddlesden–Popper metal halide perovskites" @default.
- W4384200502 cites W1532895727 @default.
- W4384200502 cites W1696825759 @default.
- W4384200502 cites W2056835857 @default.
- W4384200502 cites W2065040348 @default.
- W4384200502 cites W2066063415 @default.
- W4384200502 cites W2072473403 @default.
- W4384200502 cites W2073726416 @default.
- W4384200502 cites W2152034665 @default.
- W4384200502 cites W2160785667 @default.
- W4384200502 cites W2204788775 @default.
- W4384200502 cites W2291816733 @default.
- W4384200502 cites W2317029047 @default.
- W4384200502 cites W2320924056 @default.
- W4384200502 cites W2322232911 @default.
- W4384200502 cites W2333135987 @default.
- W4384200502 cites W2399411924 @default.
- W4384200502 cites W2403767637 @default.
- W4384200502 cites W2417573578 @default.
- W4384200502 cites W2478607353 @default.
- W4384200502 cites W2523411869 @default.
- W4384200502 cites W2533429430 @default.
- W4384200502 cites W2544262122 @default.
- W4384200502 cites W2625257055 @default.
- W4384200502 cites W2733171239 @default.
- W4384200502 cites W2744112770 @default.
- W4384200502 cites W2751411563 @default.
- W4384200502 cites W2761190197 @default.
- W4384200502 cites W2763552432 @default.
- W4384200502 cites W2787489484 @default.
- W4384200502 cites W2909199328 @default.
- W4384200502 cites W2916113878 @default.
- W4384200502 cites W2946991514 @default.
- W4384200502 cites W2966411535 @default.
- W4384200502 cites W2995719176 @default.
- W4384200502 cites W3019194559 @default.
- W4384200502 cites W3023405047 @default.
- W4384200502 cites W3127392576 @default.
- W4384200502 cites W3138788761 @default.
- W4384200502 cites W3156387287 @default.
- W4384200502 cites W4221053740 @default.
- W4384200502 cites W4223935996 @default.
- W4384200502 cites W4281391046 @default.
- W4384200502 cites W4281781161 @default.
- W4384200502 doi "https://doi.org/10.1063/5.0151477" @default.
- W4384200502 hasPublicationYear "2023" @default.
- W4384200502 type Work @default.
- W4384200502 citedByCount "0" @default.
- W4384200502 crossrefType "journal-article" @default.
- W4384200502 hasAuthorship W4384200502A5004916075 @default.
- W4384200502 hasAuthorship W4384200502A5006294625 @default.
- W4384200502 hasAuthorship W4384200502A5015658504 @default.
- W4384200502 hasAuthorship W4384200502A5026238117 @default.
- W4384200502 hasAuthorship W4384200502A5030654065 @default.
- W4384200502 hasAuthorship W4384200502A5035927722 @default.
- W4384200502 hasAuthorship W4384200502A5046225683 @default.
- W4384200502 hasAuthorship W4384200502A5063248219 @default.
- W4384200502 hasBestOaLocation W43842005021 @default.
- W4384200502 hasConcept C121332964 @default.
- W4384200502 hasConcept C147120987 @default.
- W4384200502 hasConcept C147597530 @default.
- W4384200502 hasConcept C147789679 @default.
- W4384200502 hasConcept C152365726 @default.
- W4384200502 hasConcept C159467904 @default.
- W4384200502 hasConcept C159985019 @default.
- W4384200502 hasConcept C171560689 @default.
- W4384200502 hasConcept C173523689 @default.
- W4384200502 hasConcept C178790620 @default.
- W4384200502 hasConcept C179104552 @default.
- W4384200502 hasConcept C185592680 @default.
- W4384200502 hasConcept C191897082 @default.
- W4384200502 hasConcept C192562407 @default.
- W4384200502 hasConcept C204366326 @default.
- W4384200502 hasConcept C205049153 @default.
- W4384200502 hasConcept C26873012 @default.
- W4384200502 hasConcept C544153396 @default.
- W4384200502 hasConcept C62520636 @default.
- W4384200502 hasConcept C64127065 @default.
- W4384200502 hasConceptScore W4384200502C121332964 @default.
- W4384200502 hasConceptScore W4384200502C147120987 @default.
- W4384200502 hasConceptScore W4384200502C147597530 @default.
- W4384200502 hasConceptScore W4384200502C147789679 @default.
- W4384200502 hasConceptScore W4384200502C152365726 @default.
- W4384200502 hasConceptScore W4384200502C159467904 @default.
- W4384200502 hasConceptScore W4384200502C159985019 @default.
- W4384200502 hasConceptScore W4384200502C171560689 @default.
- W4384200502 hasConceptScore W4384200502C173523689 @default.
- W4384200502 hasConceptScore W4384200502C178790620 @default.