Band Gap Tuning in Bismuth Oxide Carbodiimide B2iO2NCN.

Title Band Gap Tuning in Bismuth Oxide Carbodiimide B2iO2NCN.
Authors Corkett, A.J.; Chen, Z.; Bogdanovski, D.; Slabon, A.; Dronskowski, R.
Journal Inorg Chem
DOI 10.1021/acs.inorgchem.9b00670

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-ThCrSi structure-type adopted by Bi2O2 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 β-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.

Citation Corkett, A.J.; Chen, Z.; Bogdanovski, D.; Slabon, A.; Dronskowski, R..Band Gap Tuning in Bismuth Oxide Carbodiimide B2iO2NCN..

Related Elements


See more Bismuth products. Bismuth (atomic symbol: Bi, atomic number: 83) is a Block P, Group 15, Period 6 element with an atomic radius of 208.98040. The number of electrons in each of Bismuth's shells is 2, 8, 18, 32, 18, 5 and its electron configuration is [Xe] 4f14 5d10 6s2 6p3. Bismuth Bohr ModelThe bismuth atom has a radius of 156 pm and a Van der Waals radius of 207 pm. In its elemental form, bismuth is a silvery white brittle metal. Bismuth is the most diamagnetic of all metals and, with the exception of mercury, its thermal conductivity is lower than any other metal. Elemental BismuthBismuth has a high electrical resistance, and has the highest Hall Effect of any metal (i.e., greatest increase in electrical resistance when placed in a magnetic field). Bismuth is found in bismuthinite and bismite. It is also produced as a byproduct of lead, copper, tin, molybdenum and tungsten extraction. Bismuth was first discovered by Early Man. The name Bismuth originates from the German word 'wissmuth,' meaning white mass.