2 papers
cond-mat.mtrl-sci2018
First principles study on small ZrAln and HfAln clusters: structural, stability, electronic states and CO2 adsorption
Hardik L. Kagdada, Shweta D. Dabhi, Venu Mankad +2
We report a first principles study based on density functional theory on the structural and electronic properties of transition metal Zr and Hf doped small aluminum clusters with 1…
cond-mat.mes-hall2017
Tailoring the Electronic and Magnetic Properties of Peculiar triplet-ground-state Polybenzoid Triangulene
Vaishali Sharma, Som Narayan, Shweta D Dabhi +1
In the present work we have studied the structural and electronic properties of recently synthesized elusive free standing triangulene using density functional theory. Triangulene,…