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RESEARCH PAPER · Journal of Materiomics · 2023

Quantifying structural distortion manipulation for desired perovskite phase: Part I. Paradigm demonstration in tungsten oxides

Cheng Fang, Hong Wang, Siqi Shi

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Quantifying structural distortion manipulation for desired perovskite phase: Part I. Paradigm demonstration in tungsten oxidesOriginalQuantifying structural distortion manipulation for desired perovskite phase: Part II. Three-step workflow to reveal phase evolution logic9Interpretable machine learning model of effective mass in perovskite oxides with cross-scale features3Elastic-acoustic, optical and thermoelectric investigation of Cu6AsS5X (X= Br, I) for renewable energy applications8Modulation of the Electronic Structure and Optical Properties of VO2 by Doping with X (X = Be, Mg, Al, Ga)2Investigating structural, optoelectronic, and mechanical properties of novel Tungsten-based oxides double-perovskites compounds Sr2XWO6 (X= Mn, Fe): A DFT approach38Computational Insights into the Stability, Mechanical, Optoelectronic, and Thermoelectric Characteristics Investigation on Lead‐Based Double Perovskites of ( Cs 2 , K 2 , Rb 2 ) PbCl 6 : Promising Candidates for Optoelectronic Applications18Temperature-dependent phase evolution and reflection loss of lanthanum orthoferrite (LaFeO3)15Domain knowledge-assisted materials data anomaly detection towards constructing high-performance machine learning models35Exploring dielectric relaxation and AC conductivity of layered double hydroxides1Optical, mechanical, and transport properties of selenium-based argyrodites1

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  1. Quantifying structural distortion manipulation for desired perovskite phase: Part II. Three-step workflow to reveal phase evolution logic

    Journal of Materiomics · 2023-07-01

    Cheng Fang, Hong Wang, Siqi Shi

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  2. Interpretable machine learning model of effective mass in perovskite oxides with cross-scale features

    Journal of Materiomics · 2024-03-08

    Changjiao Li, Zhengtao Huang, Hua Hao, Zhonghui Shen, Guanghui Zhao, Ben Xu, Hanxing Liu

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  3. Elastic-acoustic, optical and thermoelectric investigation of Cu6AsS5X (X= Br, I) for renewable energy applications

    Computational Condensed Matter · 2024-07-29

    Muhammad Ibrar, Ghulam Murtaza, Muhammad Haneef, Muhammad Awais Jehangir, Nouf H. Alotaibi, Saikh Mohammad, Beenish Bashir, Tahir Zaman

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  4. Modulation of the Electronic Structure and Optical Properties of VO2 by Doping with X (X = Be, Mg, Al, Ga)

    physica status solidi (b) · 2024-08-26

    Dengrui Zhao, Dong Wei, Gaofu Guo, Heng Yu, Yifei Wei, Yaqiang Ma, Yanan Tang, Xianqi Dai

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  5. Investigating structural, optoelectronic, and mechanical properties of novel Tungsten-based oxides double-perovskites compounds Sr2XWO6 (X= Mn, Fe): A DFT approach

    Optik · 2024-09-19

    Mudasser Husain, Nasir Rahman, Ahmed Azzouz‐Rached, Nourreddine Sfina, Muhammad Asad, Akhlaq Hussain, Rashid M Ahmad, Hamza Rekab-Djabri, Q. Humayun, Ayesha Samreen, Soufyane Belhachi, Muhammad Uzair, Khamael Mohammed Abualnaja, Ghaida S. Alosaimi

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  6. Computational Insights into the Stability, Mechanical, Optoelectronic, and Thermoelectric Characteristics Investigation on Lead‐Based Double Perovskites of ( Cs 2 , K 2 , Rb 2 ) PbCl 6 : Promising Candidates for Optoelectronic Applications

    Advanced Theory and Simulations · 2024-12-16

    Mohamed Amine Ghebouli, K. Bouferrache, Faisal Katib Alanazi, Brahim Ghebouli, Messaoud Fatmi

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  7. Temperature-dependent phase evolution and reflection loss of lanthanum orthoferrite (LaFeO3)

    Inorganic Chemistry Communications · 2025-03-03

    Marzuki Naibaho, Ade Mulyawan, Phahul Zhemas Zul Nehan, Wisnu Ari Adi, Budhy Kurniawan, Wei‐Song Hung, Januar Widakdo, Masno Ginting

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  8. Domain knowledge-assisted materials data anomaly detection towards constructing high-performance machine learning models

    Journal of Materiomics · 2025-04-24

    Yue Liu, Shuchang Ma, Zhengwei Yang, Duo Wu, Yali Zhao, Maxim Avdeev, Siqi Shi

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  9. Exploring dielectric relaxation and AC conductivity of layered double hydroxides

    Journal of Computational Electronics · 2025-08-22

    Abderrahmane Elmelouky, Youssef Hairch, Kholood Ahmed Dahlous, Mohammad Shahidul Islam, Nivedita Acharjee, Mohammed Salah, Ahmed Mohamed Tawfeek

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  10. Optical, mechanical, and transport properties of selenium-based argyrodites

    Computational Condensed Matter · 2025-08-23

    Muhammad Ibrar, Aijaz Rasool Chaudhry, Khan Zeb Khan, Khan Zeb Khan, Fazal Dayan, Shahab Ud Din, Muhammad Awais Jehangir, Abid Iqbal, Ghulam Murtaza

    Read original paper ↗ ·
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