ZnxMn1–xO Solid Solutions in the Rocksalt Structure: Optical, Charge Transport, and Photoelectrochemical Properties

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

doi:10.1021/acsaem.7b00084

Title: Zn_xMn_1–xO Solid Solutions in the Rocksalt Structure: Optical, Charge Transport, and Photoelectrochemical Properties

Journal Article · Thu Feb 01 00:00:00 EST 2018 · ACS Applied Energy Materials

DOI:https://doi.org/10.1021/acsaem.7b00084· OSTI ID:1470231

^[1]; Cheng, Qian ^[2];

^[2]; Liu, Yiqun ^[3]; Lany, Stephan ^[4]; Landskron, Kai ^[3];

^[1]

Carnegie Inst. of Science, Washington, DC (United States)
Arizona State Univ., Tempe, AZ (United States)
Lehigh Univ., Bethlehem, PA (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)

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. In this paper, we produce solid solutions of Zn_xMn_1–xO, 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_xMn_1–xO 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. In conclusion, initial photoelectrochemical tests reveal that ZMO solid solutions are suitable for water oxidation and warrant further experimental optimization.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC36-99GO10337; SC0001057

OSTI ID:: 1470231

Journal Information:: ACS Applied Energy Materials, Vol. 1, Issue 2; Related Information: CNGMD partners with National Renewable Energy Laboratory (lead); Colorado School of Mines; Harvard University; Lawrence Berkeley National Laboratory; Massachusetts Institute of Technology; Oregon State University; SLAC National Accelerator Laboratory; ISSN 2574-0962

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
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Title: ZnxMn1–xO Solid Solutions in the Rocksalt Structure: Optical, Charge Transport, and Photoelectrochemical Properties

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Title: Zn_xMn_1–xO Solid Solutions in the Rocksalt Structure: Optical, Charge Transport, and Photoelectrochemical Properties