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L. Celestine

Pachhunga University College

SCHOLARLY PAPERS

5

DOWNLOADS

312

TOTAL CITATIONS

1

Scholarly Papers (5)

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1.

Subject: Submission of a Manuscript Ttiled “Hydrogen Storage in Bulk and Surface Slab of Li-Based Perovskite Hydrides Libh3 (B = Be, Mg, Ca): A Hybrid-Dft Study”

Number of pages: 26 Posted: 19 Mar 2025
R. Zosiamliana, L. Celestine, Lalhriat Zuala, Shivraj Gurung, A Yvaz and Dibya Prakash Rai
Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Saint Petersburg State Marine Technical University and Mizoram University
Downloads 131 (561,789)

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hybrid-DFT, Surface slab, Hydrogen storage, Gravimetric storage capacity, Desorption temperature

2.

Pressure-Sensitive Germanate Glass-Li2geo3, a Multifunctional Energy Material: A Theoretical Study

Number of pages: 16 Posted: 24 Apr 2024
R. Zosiamliana, L. Celestine, Lalhriat Zuala, B. Chettri, Zodin Mawia, G. Abdurakhmanov, Amel Laref and Dibya Prakash Rai
Pachhunga University College, Pachhunga University College, Pachhunga University College, North Eastern Hill University, Mizoram University, affiliation not provided to SSRN, King Saud University and Mizoram University
Downloads 55 (1,010,164)
Citation 1

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GGA, GGA+SOC, Thermoelectric, Piezoelectric, Absorption coefficient, Figure of merit

3.

Unravelling the Physical Properties of Li-Based Tin-Halide Perovskites Using Gga And Meta-Gga: A Dft Approach

Number of pages: 15 Posted: 02 Oct 2024
L. Celestine, R. Zosiamliana, Shivraj Gurung, Lalhriat Zuala, Lalrinthara Pachuau, N. Surajkumar Singh, Lalmuanpuia Vanchhawng, Karthik Gopi, A Yvaz and Dibya Prakash Rai
Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, University of Madras, Saint Petersburg State Marine Technical University and Mizoram University
Downloads 51 (1,052,702)

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Wide band gap, GGA, Meta-GGA, Optical Absorption, Piezoelectric

4.

Modulation of Electronic and Piezoelectric Properties of Lead-Free Halide Perovskites Lisnx3 (X = Cl, Br, and I) Under Applied Pressure

Number of pages: 11 Posted: 03 Feb 2025
L. Celestine, R. Zosiamliana, Bernard Lalroliana, Lalhum Hima, Shivraj Gurung, Lalhriat Zuala, Lalmuanpuia Vanchhawng, Amel Laref and Dibya Prakash Rai
Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, Pachhunga University College, King Saud University and Mizoram University
Downloads 46 (1,109,210)

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Halide-perovskite, DFT, band-gap, dielectric polarization, piezoelectric constant

5.

A Dft Investigation of the Basic Properties for Cr2xal (X=V, Nb, Ta) Full Heusler Alloys and the Impact of Self-Generated Hubbard U-Value

Number of pages: 18 Posted: 21 Jul 2025
Lalro Sanga, R. Zosiamliana, Lalhum Hima, L. Celestine, N. Laihnuna, Lalhriat Zuala, Shivraj Gurung and Z. Pachuau
Mizoram University, Pachhunga University College, Pachhunga University College, Pachhunga University College, Mizoram University, Pachhunga University College, Pachhunga University College and Mizoram University
Downloads 29 (1,345,526)

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DFT, spintronics, Heusler alloy, Slater-Pauling rule