Enhanced Pseudocapacitance of MoO₃-Reduced Graphene Oxide Hybrids with Insight from Density Functional Theory Investigations

Abstract

Hydrothermally obtained MoO 3 /reduced graphene oxide (RGO) hybrid registered a specific capacitance of 724 F g -1 at 1 A g -1 , superior to the supercapacitor performance obtained from similar hybrid structures. Density functional theory (DFT) simulations further corroborated our claim in terms of both enhanced quantum capacitance and relevant insight from the electronic density of states (DOS) for MoO 3 /RGO. Maximum capacitance is achieved for 12 wt % of RGO and then it reduces as observed in the experiment. The appearance of additional density of states from the C p z orbital in the band gap region near the Fermi level on introduction of RGO in MoO 3 is responsible for the enhanced capacitance in MoO 3 /RGO.

A general method to fabricate MoO3/C composites and porous C for asymmetric solid-state supercapacitors

“…10 Rout et al synthesized a MoO 3 / reduced graphene oxide composite material which can deliver a specic capacitance of 724 F g À1 at 1 A g À1 and which exhibits a superior capacitance retention of 50% even aer 800 cycles. 11 Shakir et al synthesized hydrogenated molybdenum trioxide (H x MoO 3 ) nanowires that yielded a specic capacitance of 168 F g À1 at 0.5 A g À1 , with excellent capacitance retention of 97% aer 3000 cycles. 12 Wen et al synthesized polypyrrole@MoO 3 / reductive graphite oxide nanocomposites which demonstrate favorable cycling behavior at a current density of 0.5 A g À1 ; the capacity loss was only 12% aer 600 cycles.…”

Composition of MoO2 Nanoparticles with RGO Sheets as Improved Lithium Ion Battery Anode

“…The innate peak of rGO at 26° is quenched by an intense peak of MoO 2 . In other words, the peak of crystalline MoO 2 has suppressed the peak of poorly crystalline rGO . The XRD peaks of MoO 2 ‐rGO are broader than bare MoO 2 NPs revealing the effect of graphene sheets on the structural growth and array of the MoO 2 NPs.…”

Partially Graphitized Iron−Carbon Hybrid Composite as an Electrochemical Supercapacitor Material

“…For CF10 composite, after 5000 charge‐discharge cycles, C sp is found to be 101.0 F/g which is ∼84 % of its initial capacitance after stabilization at 50 A/g current density (Figure f). Also, the electrode material shows higher cyclic stability as compared to earlier reports . Hence, having good stability enables the material for its practical applicability.…”