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RESEARCH PAPER · The Journal of Physical Chemistry C · 2020

Amorphization of Indirect Band Gap Semiconductors To Tune Their Optoelectronic Properties

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Amorphization of Indirect Band Gap Semiconductors To Tune Their Optoelectronic PropertiesOriginalAmorphous High‐Entropy Hydroxides of Tunable Wide Solar Absorption for Solar Water Evaporation15Study of lead-free double perovskites halides Cs2TiCl6, and Cs2TiBr6 for optoelectronics, and thermoelectric applications82Emerging Chalcohalide Materials for Energy Applications163Controllable removal of silicon carbide at nano scale by ion-implantation assisted laser machining5Optical properties and electronic structures of intrinsic gapped metals: Inverse materials design principles for transparent conductors15Predicting band gaps of ABN 3 perovskites: an account from machine learning and first-principle DFT studies27Data-Driven Discovery of Intrinsic Direct-Gap 2D Materials as Potential Photocatalysts for Efficient Water Splitting47TEM-EELS analysis reveals the W-atom mediated radiation-induced amorphization in M23C65Pioneering non-thermal plasma as a defect passivator: a new Frontier in ambient metal halide perovskite synthesis11Interchain bottlenecks and helical-channel pathways as the origin of low Li + conductivity in crystalline PEO0Novel Tl2Se3 and Tl2Te3 chalcogenides: Multifunctional materials with structural, electronic, optical, thermoelectric, and mechanical insights for energy conversion0Zero indirect bandgap in non-Hermitian systems0Type-II band alignment and high spectroscopic-limited efficiency in Ti2CO2/MoGe2N4 van der Waals heterostructure2Promising multifunctional van der waals heterostructure Ti2CO2/HfSi2N4 for photovoltaics and photocatalytic OER3First-principles investigation of strain tunable electronic, optical, and photovoltaic properties of XP, XAs, and Janus X2PAs (X= Ge, Sn) monolayers0Transferability of foundation MACE models to amorphous chemistry: Where they work and where they fail0

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  1. Amorphous High‐Entropy Hydroxides of Tunable Wide Solar Absorption for Solar Water Evaporation

    Particle & Particle Systems Characterization · 2021-09-02

    Jie Pan, Yan Bao, Hao Wang, Fucong Lyu, Lu Liu, Chong Wang, Xinxue Tang, Jian Lü, Yang Yang Li

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  2. Study of lead-free double perovskites halides Cs2TiCl6, and Cs2TiBr6 for optoelectronics, and thermoelectric applications

    Materials Science in Semiconductor Processing · 2021-09-09

    Qasim Mahmood, M. Hassan, Nousheen Yousaf, Abeer A. AlObaid, Tahani I. Al‐Muhimeed, Manal Morsi, Hind Mohammed Albalawi, Osama Abdulaziz Alamri

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  3. Emerging Chalcohalide Materials for Energy Applications

    Chemical Reviews · 2022-11-21

    Uma V. Ghorpade, Mahesh P. Suryawanshi, Martin Andrew Green, Tom Wu, Xiaojing Hao, Kevin Michael Ryan

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  4. Controllable removal of silicon carbide at nano scale by ion-implantation assisted laser machining

    CIRP Annals · 2023-01-01

    Jinshi Wang, Fengzhou Fang

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  5. Optical properties and electronic structures of intrinsic gapped metals: Inverse materials design principles for transparent conductors

    Applied Physics Letters · 2023-08-07

    Muhammad Rizwan Khan, Harshan Reddy Gopidi, Oleksandr I. Malyi

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  6. Predicting band gaps of ABN 3 perovskites: an account from machine learning and first-principle DFT studies

    RSC Advances · 2024-01-01

    Swarup Ghosh, Joydeep Chowdhury

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  7. Data-Driven Discovery of Intrinsic Direct-Gap 2D Materials as Potential Photocatalysts for Efficient Water Splitting

    ACS Catalysis · 2024-01-11

    Yatong Wang, Geert Brocks, Süleyman Er

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  8. TEM-EELS analysis reveals the W-atom mediated radiation-induced amorphization in M23C6

    Journal of Nuclear Materials · 2024-10-02

    Sho Kano, Huilong Yang, Masami Ando, Dai Hamaguchi, Takashi Nozawa, Hiroyasu Tanigawa, Kenta Yoshida, Tamaki Shibayama, Hiroaki Abe

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  9. Pioneering non-thermal plasma as a defect passivator: a new Frontier in ambient metal halide perovskite synthesis

    Materials Horizons · 2024-11-13

    Milad Mahiny, Hossein Lotfi, Maryam Beigmohammadi, Mehdi Pooriraj, Maryam Heydari, Alireza Shirzad, Hamidreza Mahfouzi, Mohammad Khaja Nazeeruddin, Abd. Rashid bin Mohd Yusoff, Hossein Movla

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  10. Interchain bottlenecks and helical-channel pathways as the origin of low Li + conductivity in crystalline PEO

    Physical Chemistry Chemical Physics · 2026-01-01

    He Du, Hao Gong, Ihor Radchenko, Yuxin Tang, Oleksandr I. Malyi

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  11. Novel Tl2Se3 and Tl2Te3 chalcogenides: Multifunctional materials with structural, electronic, optical, thermoelectric, and mechanical insights for energy conversion

    SSRN Electronic Journal · 2026-01-01

    Ahmad Hassan, Muhammad Younis, G. Murtaza

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  12. Zero indirect bandgap in non-Hermitian systems

    Journal of Applied Physics · 2026-02-05

    S. Rahul, Giandomenico Palumbo

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  13. Type-II band alignment and high spectroscopic-limited efficiency in Ti2CO2/MoGe2N4 van der Waals heterostructure

    Frontiers in Nanotechnology · 2026-05-15

    Umair Mumtaz, Yi Ding, Muhammad Sajjad

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  14. Promising multifunctional van der waals heterostructure Ti2CO2/HfSi2N4 for photovoltaics and photocatalytic OER

    Frontiers in Chemistry · 2026-06-23

    Umair Mumtaz, Yi Ding, Ibrahim Khan, Shahid Iqbal, J. Andreas Larsson, Muhammad Sajjad

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  15. First-principles investigation of strain tunable electronic, optical, and photovoltaic properties of XP, XAs, and Janus X2PAs (X= Ge, Sn) monolayers

    Journal of Physics and Chemistry of Solids · 2026-09-01

    Disha M. Bambhaniya, Nikhil M. Solanki, Suresh V. Chaudhary, Sanjeev Kumar Gupta, Pankaj N. Gajjar

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  16. Transferability of foundation MACE models to amorphous chemistry: Where they work and where they fail

    Journal of Non-Crystalline Solids · 2026-09-18

    Oleksandr I. Malyi, Andrés Felipe Usuga

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