While various crystalline carbon allotropes, including graphene, have been actively
investigated, amorphous carbon (a‐C) thin films have received relatively little attention. The …

Graphene oxide (GO) has emerged as a promising material for revolutionizing
supercapacitor technology due to its exceptional properties and versatile characteristics …

Graphene's success has led to the theoretical prediction and experimental synthesis of
various 2D carbon-based allotropes. To explore the mechanical, structural, electronic, and …

Closely packed quasi-hexagonal and quasi-tetragonal crystalline phase of C 60 molecules
(named qHPC 60) was recently synthesized. Here, we used GGA-PBE based DFT …

Several 2D carbon-based materials have been computationally designed in the last years
due to the success achieved by graphene. Using a bottom-up approach, we propose a new …

Recently, a new two-dimensional carbon allotrope named biphenylene network (BPN) was
experimentally realized. The BPN structure consists of four-, six-, and eight-membered rings …

The recent synthesis of nitrogen-doped amorphous monolayer carbon (NAMC) opens new
possibilities for multifunctional materials. In this study, we have investigated the nitrogen …

The category of 2D carbon allotropes has gained considerable interest due to its
outstanding optoelectronic and mechanical characteristics, which are crucial for various …

Kirigami, a traditional Japanese art of paper cutting, has recently been explored for its
elastocaloric effect (ECE) in kirigami-based materials (KMs), where an applied strain …

Computational materials research is vital in improving our understanding of various class of
materials and their properties, contributing valuable information that helps predict innovative …