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19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

Showing 2021 · cond-mat.mtrl-sciShow all

16 papers · 2 filters

cond-mat.mtrl-sci2021★ 10 cited

Electrochemical Screening of Contact Layers for Metal Halide Perovskites

Moses Kodur, Zachary Dorfman, Ross A. Kerner +6

Optimizing selective contact layers in photovoltaics is necessary to yield high performing stable devices. However, this has been difficult for perovskites due to their complex int…

cond-mat.mtrl-sci2021★ 42 cited

Excitons in Bulk and Layered Chromium Tri-Halides: From Frenkel to the Wannier-Mott Limit

Swagata Acharya, Dimitar Pashov, Alexander N. Rudenko +3

Excitons with large binding energies 2-3 eV in CrX are historically characterized as being localized (Frenkel) excitons that emerge from the atomic transitions…

cond-mat.mtrl-sci2021★ 29 cited

Band gap analysis and carrier localization in cation-disordered ZnGeN

Jacob J. Cordell, Garritt J. Tucker, Adele C. Tamboli +1

Cation site disorder provides a degree of freedom in the growth of ternary nitrides for tuning the technologically relevant properties of a material system. For example, the band g…

cond-mat.mtrl-sci2021★ 223 cited

Bridging Nano and Micro-scale X-ray Tomography for Battery Research by Leveraging Artificial Intelligence

Jonathan Scharf, Mehdi Chouchane, Donal P. Finegan +11

X-ray Computed Tomography (X-ray CT) is a well-known non-destructive imaging technique where contrast originates from the materials' absorption coefficients. Novel battery characte…

cond-mat.mtrl-sci2021★ 13 cited

Theoretical insights for Improving the Schottky-barrier Height at the GaO/Pt Interface

Félix Therrien, Andriy Zakutayev, Vladan Stevanović

In this work we study the Schottky barrier height (SBH) at the junction between -GaO and platinum, a system of great importance for the next generation of high-power and…

cond-mat.mtrl-sci2021★ 16 cited

n-type electrical conduction in SnS thin films

Issei Suzuki, Sakiko Kawanishi, Sage R. Bauers +7

Tin monosulfide (SnS) usually exhibits p-type conduction due to the low formation enthalpy of acceptor-type defects, and as a result n-type SnS thin films have never been obtained.…

cond-mat.mtrl-sci2021★ 13 cited

Transition metal impurities in Silicon: Computational search for a semiconductor qubit

Cheng-Wei Lee, Meenakshi Singh, Adele Tamboli +1

Semiconductors offer a promising platform for physical implementation of qubits, but their broad adoption is presently hindered by limited scalability and/or very low operating tem…

cond-mat.mtrl-sci2021★ 20 cited

Combinatorial screening of crystal structure in Ba-Sr-Mn-Ce perovskite oxides with ABO3 stoichiometry

Su Jeong Heo, Andriy Zakutayev

ABO3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunab…

cond-mat.mtrl-sci2021★ 28 cited

Computational Fermi level engineering and doping-type conversion of Ga2O3 via three-step synthesis process

Anuj Goyal, Andriy Zakutayev, Vladan Stevanović +1

Ga2O3 is being actively explored for high-power and high-temperature electronics, deep-ultraviolet optoelectronics, and other applications. Efficient n-type doping of Ga2O3 has bee…

cond-mat.mtrl-sci2021★ 11 cited

The Efficacy of the Method of Four Coefficients to Determine Charge Carrier Scattering

Caitlin M. Crawford, Erik A. Bensen, Haley A. Vinton +1

The investigation of the electronic properties of semiconductors is inherently challenging due to the ensemble averaging of fundamentals to transport measurements (i.e., resistivit…

cond-mat.mtrl-sci2021★ 21 cited

Hot carrier redistribution, electron-phonon interaction, and their role in carrier relaxation in thin film halide perovskites

S. Sourabh, V. R. Whiteside, Y. Zhai +6

Temperature dependent (4K-300K) photoluminescence and transmission spectra are analyzed to study the effect of changing the different components of a perovskite compound, be it A,…

cond-mat.mtrl-sci2021

Double-site Substitution of Ce into (Ba, Sr)MnO3 Perovskites for Solar Thermochemical Hydrogen Production

Su Jeong Heo, Michael Sanders, Ryan P. O'Hayre +1

Solar thermochemical hydrogen production (STCH) is a renewable alternative to hydrogen produced using fossil fuels. While serial bulk experimental methods can accurately measure ST…

cond-mat.mtrl-sci2021★ 34 cited

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen

Yihuang Xiong, Quinn T. Campbell, Julian Fanghanel +25

The production of hydrogen fuels, via water splitting, is of practical relevance for meeting global energy needs and mitigating the environmental consequences of fossil-fuel-based…

cond-mat.mtrl-sci2021★ 34 cited

Improving Reproducibility of Sputter Deposited Ferroelectric Wurtzite Al0.6Sc0.4N Films using In-situ Optical Emission Spectrometry

Daniel Drury, Keisuke Yazawa, Allison Mis +3

High-Sc Al1-xScxN thin films are of tremendous interest because of their attractive piezoelectric and ferroelectric properties, but overall film quality and reproducibility are wid…

cond-mat.mtrl-sci2021★ 87 cited

Reduced Coercive Field in Epitaxial Thin Film of Ferroelectric Wurtzite Al0.7Sc0.3N

Keisuke Yazawa, Daniel Drury, Andriy Zakutayev +1

The first epitaxial ferroelectric wurtzite film with clear polarization-electric field hysteresis behavior is presented. The coercive field of this epitaxial Al0.7Sc0.3N film on W/…

cond-mat.mtrl-sci2021★ 19 cited

Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure

Andriy Zakutayev

Binary III-N nitride semiconductors with wurtzite crystal structure such as GaN and AlN have been long used in many practical applications ranging from optoelectronic to telecommun…