Unveiling the influence of 3d transition metal (Sc–Zn) doping on quantum capacitance and surface charge storage in bare nano cages (Al 12 N 12 , Al 12 P 12 , B 12 N 12 , and B 12 P 12 ) – a first principles simulation study

Physical Chemistry Chemical Physics 2026

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Authors: Divyakaaviri Subramani, Deepak Arumugam, Akilesh Muralidharan, Shamini Pazhani Beena, Shankar Ramasamy
DOI: 10.1039/d5cp04898b
Cited by: 0
References: 53

Abstract

Density functional theory is used to investigate the quantum capacitance ( C Q ) and surface charge storage ( Q ) of bare (Al 12 N 12 (AN), Al 12 Pl 12 (AP), B 12 N 12 (BN), and B 12 P 12 (BP)) and 3d transition metal (TM) (Sc–Zn)doped nanocages.

Fields of Study & Subjects

Boron and Carbon Nanomaterials Research Supercapacitor Materials and Fabrication Advanced Chemical Physics Studies

Publication details

Journal / source
Physical Chemistry Chemical Physics
Volume
28
Issue
7
Pages
4579–4599
Publication date
1 January 2026
Language
EN