Tailoring activation of CoNiO nanoparticles/porous carbon nanofibers by atomic doping for high performance supercapacitors

Literature Information

Publication Date 2022-11-22
DOI 10.1039/D2CP04180D
Impact Factor 3.676
Authors

Xiao Sun, Ying Liu, Zheng Xu, Xiaochun Gao, Xitao Yin, Xiaoguang Ma


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Abstract

Metal–organic framework (MOF) materials are rich in active sites and have a high specific surface area, which make them potential electrode materials. In this work, a simple immersion method combined with a carbonization treatment process is applied to prepare MOF derived composite materials (CoNiO/PCNFs). Among them, cobalt-based MOFs (Co-MOFs) are selected as the precursor and doped with Ni atoms, and the ratio of Co and Ni is tailored to acquire a high-performance electrode. The electrochemical results show that when the ratio of Co to Ni is 2 : 2, the prepared CoNiO/PCNFs-2 electrode has high capacitance (912.4 F g−1 at 1 A g−1) and superior rate capability (retention is above 50% at 100 A g−1). Additionally, it is highly stable at 20 A g−1 (nearly no degradation after 6000 cycles). Density Functional Theory (DFT) calculations indicate that the Ni doping models present lower formation energy and better –OH group adsorption properties. Moreover, the density of electronic state (DOS) and differential charge density distribution demonstrate that Ni doping effectively enhances the charge transport during the charging and discharging processes, which is beneficial to enhance the energy storage of the electrode materials. In conclusion, this work presents a strategy to design MOF-derived composite electrodes. The experimental tests and theoretical calculations explore the energy storage process and prove that the CoNiO/PCNF electrode materials have great potential for applications.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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