The widespread use of chemicals has brought serious water pollution threatening human health and environment, which requires green, fast and low-cost purification urgently. Here we build up a novel material family of sky-parking like 3D structured...

Artikel
First‐Principles Investigation of Charged Germagraphene as a Cathode Material for Dual‐Carbon Batteries
Von Wiley-VCH zur Verfügung gestellt
Take charge: Ge-doped graphene (Germagraphene) can be a good candidate as a novel cathode material for dual-carbon batteries. The structural and electronic properties of PF6 − anion adsorbed Germagraphene are systematically investigated by using first-principles calculations combined with the effective screening medium method for designing more realistic electrochemical energy storage systems under an electric potential bias.
Abstract
As part of the concerted effort for development of energy storage technologies, dual-ion batteries (DIBs) or dual-carbon batteries (DCBs) are attracting interest, owing primarily to their eco-friendly active materials. The use of carbon as the active materials of DCBs brings about several challenges involving capacity and stability. This contribution aims to provide an in-depth understanding of the structural and electronic properties of Ge-doped graphene (Germagraphene) as a novel cathode material for DCBs. Density functional theory (DFT) calculations are combined with the effective screening medium (ESM) method for analyzing the electronic and band structure of PF6 − anion-adsorbed Germagraphene under a potential bias. These theoretical investigations indicate that the use of Ge as a dopant for graphene has a positive impact on the adsorption of the anion on the cathode under both neutral and electrically biased conditions.
Zum VolltextÜberprüfung Ihres Anmeldestatus ...
Wenn Sie ein registrierter Benutzer sind, zeigen wir in Kürze den vollständigen Artikel.