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Dangling Bond Defects on Si Surfaces and Their Consequences on Energy Band Diagrams: From a Photoelectrochemical Perspective

Moritz, Dominik C. ; Calvet, Wolfram ; Zare Pour, Mohammad Amin ; Paszuk, Agnieszka ; Mayer, Thomas ; Hannappel, Thomas ; Hofmann, Jan P. ; Jaegermann, Wolfram (2023)
Dangling Bond Defects on Si Surfaces and Their Consequences on Energy Band Diagrams: From a Photoelectrochemical Perspective.
In: Solar RRL, 2023, 7 (9)
doi: 10.26083/tuprints-00024311
Artikel, Zweitveröffentlichung, Verlagsversion

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Kurzbeschreibung (Abstract)

Using silicon in multijunction photocells leads to promising device structures for direct photoelectrochemical water splitting. In this regard, photoelectron spectra of silicon surfaces are used to investigate the energetic condition of contact formation. It is shown that the Fermi‐level position at the surface differs from the values expected from their bulk doping concentrations, indicating significant surface band bending which may limit the overall device efficiency. In this study, the influence of different surface preparation procedures for p‐ and n‐doped Si wafers on surface band bending is investigated. With the help of photoemission and X‐ray absorption spectroscopy, Si dangling bonds are identified as dominating defect centers at Si surfaces. These defects lead to an occupied defect band in the lower half and an unoccupied defect band in the upper half of the Si bandgap. However, partial oxidation of the defect centers causes a shift of defect bands, with only donor states remaining in the Si bandgap. Source‐induced photovoltages at cryogenic temperatures indicate that partial surface oxidation also decreases the recombination activity of these defect centers. It is shown that defect distribution, defect concentration, and source‐induced photovoltages need to be considered when analyzing Fermi‐level pinning at Si surfaces.

Typ des Eintrags: Artikel
Erschienen: 2023
Autor(en): Moritz, Dominik C. ; Calvet, Wolfram ; Zare Pour, Mohammad Amin ; Paszuk, Agnieszka ; Mayer, Thomas ; Hannappel, Thomas ; Hofmann, Jan P. ; Jaegermann, Wolfram
Art des Eintrags: Zweitveröffentlichung
Titel: Dangling Bond Defects on Si Surfaces and Their Consequences on Energy Band Diagrams: From a Photoelectrochemical Perspective
Sprache: Englisch
Publikationsjahr: 24 November 2023
Ort: Darmstadt
Publikationsdatum der Erstveröffentlichung: 2023
Ort der Erstveröffentlichung: Weinheim
Verlag: Wiley-VCH
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Solar RRL
Jahrgang/Volume einer Zeitschrift: 7
(Heft-)Nummer: 9
Kollation: 10 Seiten
DOI: 10.26083/tuprints-00024311
URL / URN: https://tuprints.ulb.tu-darmstadt.de/24311
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Herkunft: Zweitveröffentlichung DeepGreen
Kurzbeschreibung (Abstract):

Using silicon in multijunction photocells leads to promising device structures for direct photoelectrochemical water splitting. In this regard, photoelectron spectra of silicon surfaces are used to investigate the energetic condition of contact formation. It is shown that the Fermi‐level position at the surface differs from the values expected from their bulk doping concentrations, indicating significant surface band bending which may limit the overall device efficiency. In this study, the influence of different surface preparation procedures for p‐ and n‐doped Si wafers on surface band bending is investigated. With the help of photoemission and X‐ray absorption spectroscopy, Si dangling bonds are identified as dominating defect centers at Si surfaces. These defects lead to an occupied defect band in the lower half and an unoccupied defect band in the upper half of the Si bandgap. However, partial oxidation of the defect centers causes a shift of defect bands, with only donor states remaining in the Si bandgap. Source‐induced photovoltages at cryogenic temperatures indicate that partial surface oxidation also decreases the recombination activity of these defect centers. It is shown that defect distribution, defect concentration, and source‐induced photovoltages need to be considered when analyzing Fermi‐level pinning at Si surfaces.

Freie Schlagworte: band bending, cryophotoemission spectroscopy, Fermi-level pinning, H termination, Si surface states, surface photovoltages
ID-Nummer: 2201063
Status: Verlagsversion
URN: urn:nbn:de:tuda-tuprints-243116
Sachgruppe der Dewey Dezimalklassifikatin (DDC): 500 Naturwissenschaften und Mathematik > 530 Physik
500 Naturwissenschaften und Mathematik > 540 Chemie
Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Oberflächenforschung
Hinterlegungsdatum: 24 Nov 2023 13:38
Letzte Änderung: 27 Nov 2023 07:08
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