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Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4

Chemistry of materials, 2018-11, Vol.30 (21), p.7760-7768

2018

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Designing and Discovering a New Family of Semiconducting Quaternary Heusler Compounds Based on the 18-Electron Rule

Chemistry of materials, 2018-08, Vol.30 (15), p.4978-4985

2018

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Computationally accelerated discovery of functional and structural Heusler materials

MRS bulletin, 2022, Vol.47 (6), p.559-572

2022

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Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivity

npj computational materials, 2021-06, Vol.7 (1), p.1-13, Article 82

2021

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Effects of Curing Conditions on Pore Structure of Ultra-High-Strength Shotcrete (UHSSC) Based on X-ray Computed Tomography

Materials, 2024-08, Vol.17 (16), p.4094

2024

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Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials

Chemistry of materials, 2016-01, Vol.28 (1), p.25-29

2016

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Ultralow Thermal Conductivity, Multiband Electronic Structure and High Thermoelectric Figure of Merit in TlCuSe

Advanced materials (Weinheim), 2021-11, Vol.33 (44), p.e2104908-n/a

2021

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Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning

Acta materialia, 2019-05, Vol.169, p.9-14

2019

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Computational investigation of inverse Heusler compounds for spintronics applications

Physical review. B, 2018-09, Vol.98 (9), p.094410, Article 094410

2018

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Nonmetallic Active Sites on Nickel Phosphide in Oxygen Evolution Reaction

Nanomaterials (Basel, Switzerland), 2022-03, Vol.12 (7), p.1130

2022

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Pd2Se3 Monolayer: A Promising Two-Dimensional Thermoelectric Material with Ultralow Lattice Thermal Conductivity and High Power Factor

Chemistry of materials, 2018-08, Vol.30 (16), p.5639-5647

2018

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Crystal and Electronic Structures of Palladium Sesquichalcogenides

Chemistry of materials, 2021-04, Vol.33 (7), p.2298-2306

2021

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Landscape of Thermodynamic Stabilities of A 2 BB′O6 Compounds

Chemistry of materials, 2024-07, Vol.36 (14), p.6816-6830

2024

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Favorable Redox Thermodynamics of SrTi0.5Mn0.5O3−δ in Solar Thermochemical Water Splitting

Chemistry of materials, 2020-11, Vol.32 (21), p.9335-9346

2020

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Accelerated Discovery and Design of Ultralow Lattice Thermal Conductivity Materials Using Chemical Bonding Principles

Advanced functional materials, 2022-04, Vol.32 (14), p.n/a

2022

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Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering

Chemistry of materials, 2017-03, Vol.29 (6), p.2445-2451

2017

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Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles

Chemistry of materials, 2017-11, Vol.29 (21), p.9011-9022

2017

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Alloy engineering to tune the optoelectronic properties and photovoltaic performance for Hf-based chalcogenide perovskites

Materials science in semiconductor processing, 2024-01, Vol.169, p.107919, Article 107919

2024

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High-Throughput Computational Discovery of Ternary Mixed-Anion Oxypnictides

Chemistry of materials, 2021-12, Vol.33 (24), p.9486-9500

2021

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Outstanding Properties and Performance of CaTi0.5Mn0.5O3–δ for Solar-Driven Thermochemical Hydrogen Production

Matter, 2021-02, Vol.4 (2), p.688-708

2021

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Ca2B5O9Cl and Sr2B5O9Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows

ACS applied materials & interfaces, 2020-01, Vol.12 (4), p.4632-4637

2020

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Bi2PdO4: A Promising Thermoelectric Oxide with High Power Factor and Low Lattice Thermal Conductivity

Chemistry of materials, 2017-03, Vol.29 (6), p.2529-2534

2017

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Assessment of exchange-correlation functionals on oxygen vacancy formation energies of metal oxides

Physical review. B, 2023-09, Vol.108 (10), Article 104103

2023

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Temperature Self-Compensating Intelligent Wireless Measuring Contact Lens for Quantitative Intraocular Pressure Monitoring

ACS applied materials & interfaces, 2024-05, Vol.16 (17), p.22522-22531

2024

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Metal-to-insulator transitions in 3d-band correlated oxides containing Fe compositions

International journal of minerals, metallurgy and materials, 2024, Vol.31 (1), p.48-59

2024

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Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4

Designing and Discovering a New Family of Semiconducting Quaternary Heusler Compounds Based on the 18-Electron Rule

Computationally accelerated discovery of functional and structural Heusler materials

Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivity

Effects of Curing Conditions on Pore Structure of Ultra-High-Strength Shotcrete (UHSSC) Based on X-ray Computed Tomography

Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials

Ultralow Thermal Conductivity, Multiband Electronic Structure and High Thermoelectric Figure of Merit in TlCuSe

Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning

Computational investigation of inverse Heusler compounds for spintronics applications

Nonmetallic Active Sites on Nickel Phosphide in Oxygen Evolution Reaction

Pd2Se3 Monolayer: A Promising Two-Dimensional Thermoelectric Material with Ultralow Lattice Thermal Conductivity and High Power Factor

Crystal and Electronic Structures of Palladium Sesquichalcogenides

Landscape of Thermodynamic Stabilities of A 2 BB′O6 Compounds

Favorable Redox Thermodynamics of SrTi0.5Mn0.5O3−δ in Solar Thermochemical Water Splitting

Accelerated Discovery and Design of Ultralow Lattice Thermal Conductivity Materials Using Chemical Bonding Principles

Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering

Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles

Alloy engineering to tune the optoelectronic properties and photovoltaic performance for Hf-based chalcogenide perovskites

High-Throughput Computational Discovery of Ternary Mixed-Anion Oxypnictides

Outstanding Properties and Performance of CaTi0.5Mn0.5O3–δ for Solar-Driven Thermochemical Hydrogen Production

Ca2B5O9Cl and Sr2B5O9Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows

Bi2PdO4: A Promising Thermoelectric Oxide with High Power Factor and Low Lattice Thermal Conductivity

Assessment of exchange-correlation functionals on oxygen vacancy formation energies of metal oxides

Temperature Self-Compensating Intelligent Wireless Measuring Contact Lens for Quantitative Intraocular Pressure Monitoring

Metal-to-insulator transitions in 3d-band correlated oxides containing Fe compositions

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