Zn x Mn 1-x O Solid Solutions in the Rocksalt Structure

Optical, Charge Transport, and Photoelectrochemical Properties

Venkata S. Bhadram, Qian Cheng, Candace Chan, Yiqun Liu, Stephan Lany, Kai Landskron, Timothy A. Strobel

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Theoretical predictions of ZnO:MnO solid solutions (abbreviated here as ZMO) with the rocksalt-type structure suggest improved visible light absorption and suitable band edge positions for the overall water splitting reaction, but experimental efforts to produce such phases are limited by the low solubility of Zn within this structure type. Here, we produce solid solutions of Zn x Mn 1-x O, with x = 0.5 and 0.3 in the metastable rocksalt phase, using high-pressure and high-temperature (HPHT) techniques. X-ray diffraction and electron microscopy methods were employed to determine the crystal structure, chemical composition, and homogeneity on the submicron scale. The solid solutions exhibit increased optical absorbance in the visible spectral range as compared to those of the parent oxides ZnO and MnO. Our theoretical calculations for Zn x Mn 1-x O with x = 0.5, 0.25 predict band gaps of 2.53 and 2.98 eV, respectively, with an unusually large band gap bowing. Our calculations also show small effective electron mass for these materials indicating their potential for solar energy applications. Initial photoelectrochemical tests reveal that ZMO solid solutions are suitable for water oxidation and warrant further experimental optimization.

Original languageEnglish
Pages (from-to)260-266
Number of pages7
JournalACS Applied Energy Materials
Volume1
Issue number2
DOIs
Publication statusPublished - Feb 26 2018

Fingerprint

Charge transfer
Solid solutions
Energy gap
Bending (forming)
Metastable phases
Water
Solar energy
Oxides
Light absorption
Electron microscopy
Solubility
Crystal structure
X ray diffraction
Oxidation
Electrons
Chemical analysis
Temperature

Keywords

  • band gap bowing
  • charge transport
  • high-pressure synthesis
  • metastable oxides
  • photoelectrochemical water-splitting

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Chemical Engineering (miscellaneous)
  • Electrochemistry
  • Materials Chemistry
  • Electrical and Electronic Engineering

Cite this

Zn x Mn 1-x O Solid Solutions in the Rocksalt Structure : Optical, Charge Transport, and Photoelectrochemical Properties. / Bhadram, Venkata S.; Cheng, Qian; Chan, Candace; Liu, Yiqun; Lany, Stephan; Landskron, Kai; Strobel, Timothy A.

In: ACS Applied Energy Materials, Vol. 1, No. 2, 26.02.2018, p. 260-266.

Research output: Contribution to journalArticle

Bhadram, Venkata S. ; Cheng, Qian ; Chan, Candace ; Liu, Yiqun ; Lany, Stephan ; Landskron, Kai ; Strobel, Timothy A. / Zn x Mn 1-x O Solid Solutions in the Rocksalt Structure : Optical, Charge Transport, and Photoelectrochemical Properties. In: ACS Applied Energy Materials. 2018 ; Vol. 1, No. 2. pp. 260-266.
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