Journal
ACS ENERGY LETTERS
Volume 5, Issue 6, Pages 2027-2041Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsenergylett.0c00576
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Funding
- U.S. Department of Energy (DOE) [DE-AC36-08GO28308]
- Alliance for Sustainable Energy, LLC
- Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division
- Energy Frontier Research Centers
- National Science Foundation Graduate Research Fellowship [1646713]
- NREL's Laboratory-Directed Research and Development program
- CooksTek Fellowship in Advanced Ceramics at the Colorado School of Mines
- Office of Energy Efficiency and Renewable Energy
- Division Of Graduate Education
- Direct For Education and Human Resources [1646713] Funding Source: National Science Foundation
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Controlling site disorder in ternary and multinary compounds enables tuning optical and electronic properties at fixed lattice constants and stoichiometries, moving beyond many of the challenges facing binary alloy systems. Here, we consider possible enhancements to energy-related applications through the integration of disorder-tunable materials in devices such as light-emitting diodes, photonics, photovoltaics, photocatalytic materials, batteries, and thermoelectrics. However, challenges remain in controlling and characterizing disorder. Focusing primarily on II-IV-V-2 materials, we identify three metrics for experimentally characterizing cation site disorder. Complementary to these experiments, we discuss simulation methods to understand disordered materials. Nonidealities, such as off-stoichiometry and oxygen incorporation, can occur while synthesizing metastable disordered materials. While nonidealities may seem undesirable, we describe how if harnessed they could provide another knob for tuning disorder and subsequently properties. To illustrate the effects of disorder on device-relevant properties, we provide case examples of disordered materials and their potential in device applications.
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