Sr(Ag1-xLix)2Se2 and [Sr3Se2][(Ag1-xLix)2Se2] Tunable Direct Band Gap Semiconductors

Zhou, Xiuquan; Wilfong, Brandon; Chen, Xinglong; Laing, Craig; Pandey, Indra R.; Chen, Ying‐Pin; Chen, Yu‐Sheng; Chung, Duck‐Young; Kanatzidis, Mercouri G.

doi:10.1002/anie.202301191

Sr(Ag_1-xLi_x)₂Se₂ and [Sr₃Se₂][(Ag_1-xLi_x)₂Se₂] Tunable Direct Band Gap Semiconductors

Journal Article · Fri Jan 27 00:00:00 EST 2023 · Angewandte Chemie (International Edition)

DOI:https://doi.org/10.1002/anie.202301191· OSTI ID:1969738

^[1]; Wilfong, Brandon ^[2]; Chen, Xinglong ^[1]; Laing, Craig ^[3]; Pandey, Indra R. ^[3]; Chen, Ying‐Pin ^[4]; Chen, Yu‐Sheng ^[4]; Chung, Duck‐Young ^[1]; ^[5]

Argonne National Lab. (ANL), Lemont, IL (United States). Materials Science Division
US Naval Academy, Annapolis, MD (United States)
Northwestern Univ., Evanston, IL (United States)
Univ. of Chicago, Lemont, IL (United States). NSF's ChemMatCARS
Argonne National Lab. (ANL), Lemont, IL (United States). Materials Science Division; Northwestern Univ., Evanston, IL (United States)

Synthesizing solids in molten fluxes enables the rapid diffusion of soluble species at temperatures lower than in solid-state reactions, leading to crystal formation of kinetically stable compounds. Here, in this study, we demonstrate the effectiveness of mixed hydroxide and halide fluxes in synthesizing complex Sr/Ag/Se in mixed LiOH/LiCl. We have accessed a series of two-dimensional Sr(Ag_1-xLi_x)₂Se₂ layered phases. With increased LiOH/LiCl ratio or reaction temperature, Li partially substituted Ag to form solid solutions of Sr(Ag_1-xLi_x)₂Se₂ with x up to 0.45. In addition, a new type of intergrowth compound [Sr₃Se₂][(Ag_1-xLi_x)₂Se₂] was synthesized upon further reaction of Sr(Ag_1-xLi_x)₂Se₂ with SrSe. Both Sr(Ag_1-xLi_x)₂Se₂ and [Sr₃Se₂][(Ag_1-xLi_x)₂Se₂] exhibit a direct band gap, which increases with increasing Li substitution (x). Therefore, the band gap of Sr(Ag_1-xLi_x)₂Se₂ can be precisely tuned via fine-tuning x that is controlled by only the flux ratio and temperature.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1969738

Alternate ID(s):: OSTI ID: 1958357

Journal Information:: Angewandte Chemie (International Edition), Journal Name: Angewandte Chemie (International Edition) Journal Issue: 14 Vol. 62; ISSN 1433-7851

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Sr(Ag1-xLix)2Se2 and [Sr3Se2][(Ag1-xLix)2Se2] Tunable Direct Band Gap Semiconductors

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