| | | To get a view of the complicated chemistry employed in research today related to batteries I am posting this'
Aluminium and Magnesium Insertion in Sulfur-Based Spinels: a First-Principles Study
Vadym V. Kulish, Daniel Koch and Sergei Manzhos
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C6CP08284J
Received 04 Dec 2016, Accepted 03 Feb 2017
First published online 03 Feb 2017
We computationally screen several sulfur-based materials with spinel crystal structure as potential Al and Mg insertion hosts for Al and Mg-ion batteries. We evaluate the effect of transition-metal substitution (TM=Ti, Cr, Mn, Fe, Co, Ni) on the key properties determining electrode performance. We systematically calculate the thermodynamic stability, average voltage, binding energy, volume expansion, and Al/Mg diffusion for all compounds. The results suggest that the Ni-based spinel shows a relatively high Al and Mg insertion voltage and low diffusion barriers, and thus is a promising candidate cathode material for Al and Mg-ion batteries.
ZIF-67 derived Ag-Co3O4@N-doped carbon/carbon nanotubes composite and its application in Mg-air fuel cell Min Jianga, Hao Hea, b, , , Wen-Jun Yia, Wen Huangc, Xiang Panb, Ming-Yu Wangb, Zi-Sheng Chaoa, b, , a College of Chemistry and Chemical Engineering, State Key Laboratory of Chemo/Biosensing and Chemometrics, Hunan University, Changsha 410082, Chinab College of Materials Science and Engineering, Changsha University of Science & Technology, Changsha 410114, Chinac College of Chemistry and Chemical Engineering, Central South University, Changsha 410082, China
Received 6 December 2016, Revised 30 January 2017, Accepted 30 January 2017, Available online 1 February 2017
Abstract
Ag-Co3O4@N-doped carbon/carbon nanotubes composites are synthesized by dispersing Ag nanoparticles throughout the N-doped carbon derived from ZIF-67/CNT. In oxygen reduction reaction (ORR), the synthesized composites possess a one-step 4 electron pathway, and a synergistic effect between Ag nanoparticles and N-doped carbon is proposed. In the Mg-air fuel cell, the synthesized composites show the highest power density of 88.9 mW/cm2 at current density of 140 mA/cm2, better than that of 20%Pt/C. This excellent performance ensures this composite a promising ORR catalyst for Mg-air fuel cell. |
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