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Yaxin Xu

affiliation not provided to SSRN

SCHOLARLY PAPERS

14

DOWNLOADS

821

TOTAL CITATIONS

3

Scholarly Papers (14)

Exploring the Photovoltaic Potential of Cs2agbx6 (B=Bi, Sb; X=Br, Cl) Double Perovskites: A Computational Study

Number of pages: 33 Posted: 30 Dec 2024
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Tsinghua University, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 158 (497,016)

Abstract:

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Photoelectric characteristic, Double perovskites, Mechanical properties, Device simulation, Photovoltaic applications.

Exploring the Photovoltaic Potential of Cs2agbx6 (B=Bi, Sb; X=Br, Cl) Double Perovskites: A Computational Study

Number of pages: 32 Posted: 01 Nov 2024
affiliation not provided to SSRN, affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Tsinghua University, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 34 (1,326,242)

Abstract:

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Photoelectric characteristic, Double perovskites, Mechanical Properties, Device simulation, Photovoltaic applications.

2.

Machine Learning and First-Principles Study of Non-Lead-Halogen Cs₂Nab´Cl₆ (B´= in, Cr, Y, Tb) Double Halide Perovskites with Optoelectronic Properties

Number of pages: 34 Posted: 12 Nov 2024
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Tsinghua University, University of New South Wales (UNSW), affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 110 (674,591)
Citation 1

Abstract:

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Double perovskite, First principles, Machine learning, Optical properties, Electronic structure.

3.

Wearable Radiation Monitoring: Exploration of A2bx6 Perovskite Detector Screening Based on Machine Learning and Dft

Number of pages: 47 Posted: 24 Jun 2025
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 102 (736,406)

Abstract:

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double perovskite, machine learning, Density functional theory, Mechanical properties, Wearable radiation detector

4.

Optical, Electronic, Mechanical, and Thermoelectric Applications of Cs2nabicl6 Halide Double Perovskites Based on Doping and Vacancy Manipulation

Number of pages: 34 Posted: 18 Dec 2024
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Tsinghua University, University of New South Wales (UNSW), affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 92 (753,595)
Citation 2

Abstract:

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Double perovskites, Density-functional theory, Optoelectronic properties, Mechanical stability, Thermoelectric Applications

5.

Machine Learning Screening and Dft Calculations for Exploring Cs2ag0.75x0.25bicl6 (X=Na, K, Rb) Double Perovskites as Underwater Photovoltaic Materials

Number of pages: 38 Posted: 22 Nov 2024
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 62 (951,658)

Abstract:

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Double perovskite, Underwater photovoltaics, Optoelectronic properties, Mechanical properties, Device simulation, Machine learning screening.

6.

Energy Storage Mechanism and High-Performance Anode Potential of T-Carbon [110] as Anode for Na/K Batteries

Number of pages: 31 Posted: 09 Oct 2025
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 56 (1,010,164)

Abstract:

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Carbon-based 2D material, Sodium-ion battery, Potassium-ion battery, anode material, First-principles calculations.

First-Principles Investigation of Lead-Free Vacancy-Ordered Double Perovskites Cs2BX6 (B = Ti, Zr, Hf; X = I, Cl): Bandgap Engineering and Full-Spectrum Optoelectronic Applications

Number of pages: 33 Posted: 18 Jun 2026
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and affiliation not provided to SSRN
Downloads 30

Abstract:

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Double perovskites, Bandgap Engineering, optoelectronic properties, Mechanical properties, Optoelectronic devices

First-Principles Investigation of Lead-Free Vacancy-Ordered Double Perovskites Cs2BX6 (B = Ti, Zr, Hf; X = I, Cl): Bandgap Engineering and Full-Spectrum Optoelectronic Applications

Number of pages: 33 Posted: 30 May 2026
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 16 (1,614,412)

Abstract:

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Double perovskites, Bandgap engineering, Optoelectronic properties, Mechanical properties, Optoelectronic devices

8.

Machine Learning-Guided Design and Strain Engineering of Lead-Free Double Perovskites for Enhanced Optoelectronic Performance

Number of pages: 38 Posted: 31 Mar 2026
affiliation not provided to SSRN, affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 36 (1,318,317)

Abstract:

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Double perovskite, Machine Learning, Photoelectric characteristic, Strain engineering, Molecular orbital theory

9.

Infrared Window Properties of Ab2c4 (A=Zn; B=In, Ga; C=Te, Se) Materials Via Machine Learning and Density Functional Theory

Number of pages: 38 Posted: 13 Aug 2025
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 27 (1,385,945)

Abstract:

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Infrared window material, Machine learning, DFT calculation, Optical Properties, Mechanical stability.

Study on Anti-counterfeiting Properties Based on Green-light-emitting Lead-Free Double Perovskite Cs 2 A(I)A'(III)X 6

Number of pages: 32 Posted: 15 May 2026
affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 20 (1,559,710)

Abstract:

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Lead-free double perovskites, First-principles calculations, Anisotropy inversion, Dynamic anti-counterfeiting, Mechanical properties.

Study on Anti-counterfeiting Properties Based on Green-light-emitting Lead-Free Double Perovskite Cs 2 A(I)A'(III)X 6

Number of pages: 40 Posted: 03 Jun 2026
affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 5

Abstract:

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Lead-free double perovskites, First-principles calculations, Anisotropy inversion, Dynamic anti-counterfeiting, Mechanical properties.

11.

Computational Study of Ca2in4x8 (X = Te, Se, S) Properties Via Density Functional Theory

Number of pages: 21 Posted: 16 Jul 2025
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN and Southwestern Institute of Physics
Downloads 24 (1,411,822)

Abstract:

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Lead-free perovskites, Ca2In4X8 (X=S, Se, Te), First-principles calculations, density functional theory, Photoelectric conversion.

12.

Study on the Material Properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) Near Infrared Materials Based on Machine Learning and Density Functional Theory

Number of pages: 26 Posted: 20 Jan 2026
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 23 (1,470,786)

Abstract:

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Near-infrared photovoltaic materials, Machine learning, DFT calculation, Transmittance.

13.

From machine learning based on electronic structure design to strain engineering for improving optoelectronic performance

Number of pages: 38 Posted: 27 Jan 2026
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 19 (1,491,251)

Abstract:

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Double perovskite, Machine learning, Photoelectric characteristic, Strain Engineering, Molecular orbital theory

14.

Bonding-Driven Valley Reordering in Ternary Chalcogenides A(InS₂)₂ (A=Be, Mg, Ca) Revealed by Machine Learning and First-Principles Calculations

Number of pages: 38 Posted: 30 Jun 2026
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 7

Abstract:

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machine learning, DFT Calculation, Ternary chalcogenides, Valley engineering, Bonding-driven mechanism.