Computational study of Cu n AgAu (n = 1–4) clusters invoking DFT based descriptors

S Das, P Ranjan, T Chakraborty - Physical Sciences Reviews, 2023 - degruyter.com
Metallic clusters have shown potential uses in science and technology especially in the
domain of photovoltaics, biomedical and catalysis. The noble metal based clusters like Cu …

Computational Investigation of Cationic, Anionic and Neutral Ag2AuN (N = 1–7) Nanoalloy Clusters

P Ranjan, T Chakraborty, A Kumar - Physical Sciences Reviews, 2017 - degruyter.com
The study of bimetallic nanoalloy clusters is of immense importance due to their diverse
applications in the field of science and engineering. A deep theoretical insight is required to …

Structure and electronic properties of AunPt (n = 1–8) nanoalloy clusters: the density functional theory study

P Ranjan, T Chakraborty - Journal of Nanoparticle Research, 2020 - Springer
The study of bimetallic nanoalloy clusters is of considerable interest due to its interesting
electronic, optical, magnetic and catalytic properties. The geometrical structure and …

[PDF][PDF] Density Functional Approach: To Study Copper Sulfide Nanoalloy Clusters.

P Ranjan, T Chakraborty - Acta Chimica Slovenica, 2019 - researchgate.net
Nano clusters of Copper sulfides (CuS) have paramount importance due to its significant
adsorption property and non-toxic behaviour. In this report, nanoalloy clusters of (CuS) n;(n …

A comparative study of structure, stabilities and electronic properties of neutral and cationic [AuSin] λ and [Sin+ 1] λ (λ= 0,+ 1; n= 1–12) nanoalloy clusters

P Ranjan, T Chakraborty - Materials Today Communications, 2020 - Elsevier
Abstract Structure, stabilities and electronic properties of [AuSi n] λ and [Si n+ 1] λ (λ= 0,+ 1;
n= 1-12) nanoalloy clusters are studied invoking Density Functional Theory methodology. To …

Theoretical analysis: electronic and optical properties of gold-silicon nanoalloy clusters

P Ranjan, A Kumar, T Chakraborty - Materials Today: Proceedings, 2016 - Elsevier
Due to diverse applications in the field of science and engineering, the clusters formed
between Gold and Silicon are attractive building blocks for future nano-scale and optical …

Computational study of AuSin (n= 1-9) nanoalloy clusters invoking DFT based descriptors

P Ranjan, A Kumar, T Chakraborty - AIP Conference Proceedings, 2016 - pubs.aip.org
Nanoalloy clusters formed between Au and Si are topics of great interest today from both
scientific and technological point of view. Due to its remarkable catalytic, electronic …

A DFT study of vanadium doped gold nanoalloy clusters

P Ranjan, T Chakraborty - Key Engineering Materials, 2018 - Trans Tech Publ
The electronic and optical properties of AunV (n= 1-8) nanoalloy clusters have been
investigated invoking Density Functional Theory (DFT) based descriptors. Conceptual DFT …

Computational investigation of Ge doped au nanoalloy clusters: a DFT study

P Ranjan, A Kumar, T Chakraborty - IOP conference series …, 2016 - iopscience.iop.org
In this study, electronic and optical properties of AunGe (n= 1-9) nanoalloy clusters are
systematically investigated in terms of the Density Functional Theory (DFT) with the Becke …

Theoretical analysis of AgFen (n= 1–5) clusters: a DFT study

S Das, T Chakraborty, P Ranjan - Materials Today: Proceedings, 2022 - Elsevier
Study based on transition metal based clusters are of large interest because of its potential
uses in photovoltaic, semiconductor fabrication and life sciences. In this work, Ag-doped Fe …