Band Gap Tuning in Bismuth Oxide Carbodiimide Bi2O2NCN

Corkett, Alex J. (författare)

Chen, Zheng (författare)

Bogdanovski, Dimitri (författare)

Slabon, Adam (författare): Stockholms universitet,Institutionen för material- och miljökemi (MMK)

Dronskowski, Richard (författare)

(creator_code:org_t)

2019-04-16
2019
Engelska.
Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 58:9, s. 6467-6473

Relaterad länk:: https://urn.kb.se/re...; visa fler...; https://doi.org/10.1...; visa färre...

Abstract Ämnesord

Stäng

Layered bismuth oxides exhibit a broad range of tunable physical properties as a result of their excellent structural versatility which facilitates compositional substitutions at both cationic and anionic positions. Here we expand this family in a new direction through the preparation of the first example of a bismuth-containing oxide carbodiimide, Bi2O2NCN, which assumes an extended variant of the anti-ThCr2Si2 structure-type adopted by Bi(2)O(2)Ch (Ch = Se or Te) oxide chalcogenides. Electronic structure calculations reveal the title compound to be an indirect band gap semiconductor with a band gap of approximately 1.4 eV, in good agreement with the measured value of 1.8 eV, and intermediate between that of structurally related Bi2O2S (1.12 eV) and beta-Bi2O3 (2.48 eV). Mott-Schottky experiments demonstrate Bi2O2NCN to be an n-type semiconductor with a conduction band edge position of -0.37 V vs reversible hydrogen electrode. This study highlights the pseudochalcogenide nature of the N-=C=N- carbodiimide anion, which may be substituted in place of oxide or chalcogenide anions in this and potentially other structural classes as an effective means of electronic tuning.

Av författaren/redakt...: Corkett, Alex J.; Chen, Zheng; Bogdanovski, Dim ...; Slabon, Adam; Dronskowski, Ric ...

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