Stone–Wales Decorated Phagraphene: A Potential Candidate for Supercapacitor Electrodes and Thermal Transport

Harnessing BN co-doping for superior thermal transport in phagraphene monolayer

“…Here, we observed a nearly linear increase in κ e for the structures with increasing temperature (figure 2(a)). A similar nature of κ e has also been found in Stone-Wales (SW) decorated phagraphene structure [18]. At room temperature, the maximum value of κ e has been observed for Structure A, and it increases sharply with increasing temperature.…”

“…At room temperature, the maximum value of κ e has been observed for Structure A, and it increases sharply with increasing temperature. However, κ e is relatively lower than other graphene derivatives [18,39]. Next, we have investigated the lattice part of thermal conductivity (κ L ) as a function of temperature (figure 2(b)).…”

“…In our recent publication, we have predicted the stability and electronic nature of B-N co-doped phagraphene structures [16]. Interestingly, we can modify the electronic properties of the structure by defects and doping [18,23]. Hence, phagraphene is an excellent choice for optoelectronic applications.…”

“…However, there are horizontal shifts in the position of the Dirac cone depending on the position and percentage of doping. Apart from that, recent studies suggest modified transport and electronic properties of phagraphene with defects and doping [16][17][18]. Furthermore, modified phagraphene quantumdots exhibit potential as future candidates in nonlinear optics and drug delivery [19].…”

“…Hence, phagraphene is an excellent choice for optoelectronic applications. Additionally, BN co-doped phagraphene and SW decorated phagraphene systems are also feasible candidates in supercapacitor applications [18]. In this context, the study of the thermal conductivity of BN co-doped phagraphene structures is necessary.…”