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Jiaxing Qu

6 results in Authors: Jiaxing Qu

Inorganic Chemistry

Working Paper

Doping by Design: Finding New n-type Dopable ABX4 Zintl Phases for Thermoelectrics

Jiaxing Qu, Vladan Stevanovic, Elif Ertekin, Prashun Gorai

Version 1 posted 24 August 2020

426

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Inorganic Chemistry

Working Paper

New n-type Zintl Phases for Thermoelectrics: Discovery, Structural Characterization and Band Engineering of the Compounds A2CdP2 (A = Sr, Ba, Eu)

Adam Balvanz, Jiaxing Qu, Sviatoslav Baranets, Elif Ertekin, Prashun Gorai, Svilen Bobev

Version 1 posted 19 October 2020

725

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Theoretical and Computational Chemistry

Working Paper

A Graph Neural Network for Predicting Energy and Stability of Known and Hypothetical Crystal Structures

Shubham Pandey, Jiaxing Qu, Vladan Stevanovic, Peter St. John, Prashun Gorai

Version 1 posted 16 April 2021

968

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Materials Chemistry

Working Paper

VTAnDeM: A Python Toolkit for Simultaneously Visualizing Phase Stability, Defect Energetics, and Carrier Concentrations of Materials

Michael Toriyama, Jiaxing Qu, Lidia C. Gomes, Elif Ertekin

Version 1 posted 11 October 2022

590

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Energy

Working Paper

Defect Chemistry and Doping of BiCuSeO

Michael Toriyama, Jiaxing Qu, G. Jeffrey Snyder, Prashun Gorai

Version 1 posted 22 June 2021

532

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Energy

Working Paper

Computational Design of Thermoelectric Alloys Through Optimization of Transport and Dopability

Jiaxing Qu, Adam Balvanz, Sviatoslav Baranets, Svilen Bobev, Prashun Gorai

Version 1 posted 22 September 2021

545

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6 results in Jiaxing Qu in Authors: Jiaxing Qu

Doping by Design: Finding New n-type Dopable ABX4 Zintl Phases for Thermoelectrics

New n-type Zintl Phases for Thermoelectrics: Discovery, Structural Characterization and Band Engineering of the Compounds A2CdP2 (A = Sr, Ba, Eu)

A Graph Neural Network for Predicting Energy and Stability of Known and Hypothetical Crystal Structures

VTAnDeM: A Python Toolkit for Simultaneously Visualizing Phase Stability, Defect Energetics, and Carrier Concentrations of Materials

Defect Chemistry and Doping of BiCuSeO

Computational Design of Thermoelectric Alloys Through Optimization of Transport and Dopability

6 results in Authors: Jiaxing Qu