To: Haim R. Branisteanu who wrote (129933 ) 2/7/2017 3:52:37 AM From: Haim R. Branisteanu 1 RecommendationRecommended By Elroy Jetson
Respond to of 218726 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 ManuscriptDOI: 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 Jiang a, Hao He a, b, , , Wen-Jun Yi a, Wen Huang c, Xiang Pan b, Ming-Yu Wang b, Zi-Sheng Chao a, 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.