activity
20202026
most citedInduced Ferromagnetism in bilayer Hexagonal Boron Nitride (h-BN) on vacancy defects at B and N sites

35 citations · 37 across the 8 of their papers we have counts for

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Showing 2025Show all

4 papers · 1 filter

cond-mat.mtrl-sci2025

Interfacial effect on the optoelectronic and piezoelectric properties of Ge-Sn terminated Halide Perovskite heterostructure from first-principles study

L. Celestine, R. Zosiamliana, H. Laltlanmawii +6

Since the very early stages of research on sustainable technologies, green energy conversion has always been a prime focus. With the discoveries of countless functional materials i…

cond-mat.mtrl-sci2025

Insights into the OER, ORR, and HER Activity of a New MXene-Family SnSiGeN4 Photocatalyst for Water Splitting: A First-Principles Study

Chhatra Bahadur Subba, Bhanu Chettri, Amel Laref +4

The development of efficient and cost-effective catalysts for clean energy conversion remains a central challenge in materials science. Although platinum serves as the benchmark ca…

cond-mat.mtrl-sci2025

Cu2XSiS4 (X = Ge, Sn, and Pb) materials for solar-cell applications: A DFT+SCAPS-1D simulation

H. Laltlanmawii, L. Celestine, R. Zosiamliana +4

By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investig…

cond-mat.mtrl-sci2025

The study of electronic, structural, mechanical, and piezoelectric properties of bulk NbOX2 (X = Cl, Br, and I) using density functional theory

L. D. Tamang, B. Chettri, L. Celestine +6

In this work, we have performed a comprehensive study of dielectric materials NbOX2 (X=Cl, Br, and I) within the framework of density functional theory, incorporating both conventi…