Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics

By J. Palmer, A. Llobet, Sun‐Hwa Yeon, J. Fischer, Yunfeng Shi, Yury Gogotsi, Keith E. Gubbins. 2010

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Reviewing the fundamentals of supercapacitors and the difficulties involving the analysis of the electrochemical findings obtained for porous electrode materials (2020, methodology): “In this sense, the Density Functional Theory (DFT) provides a more realistic analysis of the surface area of porous carbons since the BET method fails when analyzing very small pores [213].”
On the molecular origin of supercapacitance in nanoporous carbon electrodes. (2012, unknown): “The MD simulation proposed here differs from previous approaches 8,9 as two key features have been taken into account: (1) a realistic atomistic structure for a microporous carbon electrode from Palmer et al. 21 corresponding to CDCs synthesized from crystalline TiC using respective chlorination tem”