Author

Shivraj Gurung

Observed name: Gurung, Shivraj

Institution: Mizoram University

Observed institution: Mizoram University

ORCID: 0000-0003-3242-0678

Observed ORCID: 0000-0003-3242-0678

OpenAlex ID: A5071612341

A Halide‐Based Perovskite CsGeX3 (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications

2023 · Lalengmawia Celestine, Renthlei Zosiamliana, et al. · Advanced Theory and Simulations · 43

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Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

2024 · L Celestine, R Zosiamliana, et al. · Journal of Physics Condensed Matter · 19

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Theoretical Study of ZnS Monolayer Adsorption Behavior for CO and HF Gas Molecules

2022 · Lalmuan Chhana, Bernard Lalroliana, et al. · ACS Omega · 17

Ab initio investigation of non-metal-doped ZnS monolayer

2021 · Lalmuan Chhana, Ramesh Chandra Tiwari, et al. · Applied Physics A · 11

Hydrogen storage in bulk and surface slab of Li-based perovskite hydrides LiBH 3 (B = Be, Mg, Ca): A hybrid-DFT study

2025 · R. Zosiamliana, L. Celestine, et al. · Journal of Energy Storage · 10

Recent progress on the solid-state materials for photocatalysis

2025 · Laku Dorjee Tamang, Shivraj Gurung, et al. · Discover Electrochemistry. · 9

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Modulation of electronic and piezoelectric properties of lead-free halide perovskites LiSnX3 (X = Cl, Br, and I) under applied pressure

2025 · L. Celestine, R. Zosiamliana, et al. · Materials Chemistry and Physics · 8

A comprehensive study of electronic, optical, mechanical and piezoelectric properties of Li-based tin-halide perovskites using GGA, meta-GGA and HSE06 methods

2025 · Celestine Lalengmawia, Zosiamliana Renthlei, et al. · New Journal of Chemistry · 8

The effect of on-site and inter-site Hubbard correction in the thermoelectric properties of quaternary Heusler alloys NaHfXSn (X = Co, Rh, Ir): a first-principles study

2025 · R. Zosiamliana, L. Celestine, et al. · New Journal of Chemistry · 7

Ab initio prediction of half-metallicity, stability and reconstruction in Cu3TaTe4 (1 0 0) surface

2023 · Bernard Lalroliana, Lalmuanchhana, et al. · Computational Materials Science · 6

Nb-based copper sulvanites for potential green energy harvesting under induced isotropic pressure

2024 · Bernard Lalroliana, Lalmuan chhana, et al. · Materials Research Bulletin · 5

Visible-light-driven photocatalytic water splitting in double perovskite halides Cs 2 TlInX 6 (X = Cl, Br, I): a first-principles study

2026 · Angela Chinggelkim, Laltha Kimi, et al. · Physica Scripta · 3

Exploring the structural, optoelectronic, mechanical and thermoelectric properties of double halide perovskites Cs$$_2$$ScInX$$_6$$ (X=Cl, Br, I) for green energy generators: a first principles study

2025 · Angela Chinggelkim, R. Zosiamliana, et al. · Applied Physics A · 3

Theoretical investigation of the functional and photocatalytic properties of Li 2 TiX 6 (X = Cl, Br, and I) double perovskites using density functional theory

2026 · Lalrin Puia, Laltha Kimi, et al. · New Journal of Chemistry · 2

A DFT investigation of the basic properties for Cr2XAl (X=V, Nb, Ta) full Heusler alloys

2025 · Lalro Sanga, R. Zosiamliana, et al. · Physica B Condensed Matter · 2

Unveiling the optical and piezoelectric properties of organic–inorganic hybrid perovskites FAPbX 3 (X = Cl, Br, I): a DFT study

2025 · Lalthakimi Chenkual, R. Zosiamliana, et al. · New Journal of Chemistry · 2

Exploring the functional properties of the diamond-like quaternary compound Li 2 ZnGeS 4 for potential energy applications: a theoretical approach

2025 · Lalengmawia Celestine, Michael T. Nunsanga, et al. · Physical Chemistry Chemical Physics · 2

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Enhanced optical and thermoelectric properties of Cu 3 Nb 1− X V X S 4 through chemical substitution: a DFT approach

2024 · Bernard Lalroliana, Lalmuanchhana, et al. · New Journal of Chemistry · 2

Modulation of electronic and piezoelectric properties of lead-free halide perovskites LiSnX$_3$ (X = Cl, Br, and I) under applied pressure

2024 · Lalengmawia, Celestine, Zosiamliana, R., et al. · arXiv (Cornell University) · 2

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A DFT Study on the Structural, Electronic, Optical, and Mechanical Properties of Lead-Free Perovskites $$\hbox {Rb}_2$$ $$\hbox {YAuX}_6$$ (X = F, Cl, Br, I) for Solar Cell Applications

2025 · Angela Chinggelkim, R. Zosiamliana, et al. · Journal of Electronic Materials · 1

Crystal structure, Hirshfeld surface analysis and DFT studies of 15-bromobenzo[4,5]quinolino[3,2,1-kl]phenothiazine

2025 · Nagarajan Natarajan, Swinton Darious Robert, et al. · Journal of Molecular Structure · 1

A comprehensive study of electronic and piezoelectric properties of Li-based Tin-halide perovskites from GGA and Meta-GGA

2024 · Lalengmawia, Celestine, Renthlei, Zosiamliana, et al. · arXiv (Cornell University) · 1

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First principles insight of silicene-ZnS-silicene trilayer heterostructure

2023 · Lalmuan Chhana, Lalrin Kima, et al. · Physica Scripta · 1

First-principles study of electronic, optical and thermoelectric properties of phosphorene-like MX (M = Si, Ge, Sn; X = O, S) monolayers: a hybrid DFT study

2026 · Laltha Kimi, R. Zosiamliana, et al. · The European Physical Journal Plus

A comparative first-principles investigation of bilayer NbOX2 (X=Cl, Br, I) for Photocatalytic water splitting applications

2026 · Tamang, Laku Dorjee, Gurung, Shivraj, et al. · arXiv (Cornell University)

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Works count: 40

Citation count: 177

H-index: 8

I10-index: 6