2 citations · 3 across the 9 of their papers we have counts for
10 papers
A comparative first-principles investigation of bilayer NbOX2 (X=Cl, Br, I) for Photocatalytic water splitting applications
Laku Dorjee Tamang, Shivraj Gurung, Bhanu Chettri +6
Motivated by our previous work on bulk NbOX2 , where we have reported its high 1dielectric polarisation and finite piezoelectric response, this work extends to its 2D homo bilayer…
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…
A comprehensive first principles investigation of ABH type (A= Li,Na, and K; B= Al, and Si) double perovskite hydrides for high capacity hydrogen storage
R. Zosiamliana, Lalhriat Zuala, Shivraj Gurung +4
Recent breakthroughs in vacancy-ordered double perovskite hydride materials have underscored their significant potential for integration into next-generation high-capacity hydrogen…
Exploring the functional properties of diamond-like quaternary compound LiZnGeS for potential energy applications: A theoretical approach
Celestine Lalengmawia, Michael T. Nunsanga, Saurav Suman +7
It is anticipated that wide-bandgap semiconductors (WBGSs) would be useful materials for energy production and storage. A well-synthesized, yet, scarcely explored diamond-like quat…
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…
A first-principles investigation of altermagnetism in CrSb2 under applied pressure
R. Tamang, Shivraj Gurung, Shalika Ram Bhandari +4
In this study, we employed first-principles density functional theory (DFT) calculations within the GGA+U framework to explore the electronic and magnetic properties of CrSb2 under…
Recent progress on the solid-state materials for photocatalysis
L. D. Tamang, S. Gurung, R. Zosiamliana +7
Hydrogen is considered an alternative source of energy to fossil fuels for the fulfilment of current energy demands. Photocatalysis initiates the hydrogen evolution reaction which…
Modulation of electronic and piezoelectric properties of lead-free halide perovskites LiSnX (X = Cl, Br, and I) under applied pressure
Celestine Lalengmawia, R. Zosiamliana, Bernard Lalroliana +7
Pb-based perovskites are considered to be the most efficient materials for energy harvest. However, real-time application is limited because of their toxicity. As a result, lead-fr…
A comprehensive study of electronic and piezoelectric properties of Li-based Tin-halide perovskites from GGA and Meta-GGA
Celestine Lalengmawia, Zosiamliana Renthlei, Shivraj Gurung +7
Wide bandgap semiconductors (WBGs) are predicted to be the potential materials for energy generation and storing. In this work, we used density functional theory (DFT) that incorpo…
Newly discovered magnetic phase: A brief review on Altermagnets
R. Tamang, Shivraj Gurung, D. P. Rai +2
Recently, a new magnetic phase, termed altermagnetism, has caught the attention of the magnetism and spintronics community. This newly discovered magnetic phenomenon differs from t…