Li2SnO3 as a Cathode Material for Lithium-ion Batteries:Defects, Lithium Ion Diffusion and Dopants

Tin-based oxide Li2SnO3 has attracted considerable interest as a promising cathode material for potential use in rechargeable lithium batteries due to its high- capacity. Static atomistic scale simulations are employed to provide insights into the defect chemistry, doping behaviour and lithium diffusion paths in Li2SnO3. The most favourable intrinsic defect type is Li Frenkel (0.75 eV/defect). The formation of anti-site defect, in which Li and Sn ions exchange their positions is 0.78 eV/defect, very close to the Li Frenkel. The present calculations confirm the cation intermixing found experimentally in Li2SnO3. Long range lithium diffusion paths via vacancy mechanisms were examined and it is confirmed that the lowest activation energy migration path is along the c-axis plane with the overall activation energy of 0.61 eV. Subvalent doping by Al on the Sn site is energetically favourable and is proposed to be an efficient way to increase the Li content in Li2SnO3. The electronic structure calculations show that the introduction of Al will not introduce levels in the band gap

Defects, Dopants and Lithium Mobility in Li ₉ v ₃ (P ₂ O ₇ ) ₃ (PO ₄ ) ₂

Layered Li9V3(P2O7)3(PO4)2 has attracted considerable interest as a novel cathode material for potential use in rechargeable lithium batteries. The defect chemistry, doping behavior and lithium diffusion paths in Li9V3(P2O7)3(PO4)2 are investigated using atomistic scale simulations. Here we show that the activation energy for Li migration via the vacancy mechanism is 0.72 eV along the c-axis. Additionally, the most favourable intrinsic defect type is Li Frenkel (0.44 eV/defect) ensuring the formation of Li vacancies that are required for Li diffusion via the vacancy mechanism. The only other intrinsic defect mechanism that is close in energy is the formation of anti-site defect, in which Li and V ions exchange their positions (1.02 eV/defect) and this can play a role at higher temperatures. Considering the solution of tetravalent dopants it is calculated that they require considerable solution energies, however, the solution of GeO2 will reduce the activation energy of migration to 0.66 eV

A Biomass-Based Integral Approach Enables Li-S Full Pouch Cells with Exceptional Power Density and Energy Density

Lithium-sulfur (Li-S) batteries, as part of the post-lithium-ion batteries (post-LIBs), are expected to deliver significantly higher energy densities. Their power densities, however, are today considerably worse than that of the LIBs, limiting the Li-S batteries to very few specific applications that need low power and long working time. With the rapid development of single cell components (cathode, anode, or electrolyte) in the last few years, it is expected that an integrated approach can maximize the power density without compromising the energy density in a Li-S full cell. Here, this goal is achieved by using a novel biomass porous carbon matrix (PCM) in the anode, as well as N-Co9S8 nanoparticles and carbon nanotubes (CNTs) in the cathode. The authors' approach unlocks the potential of the electrodes and enables the Li-S full pouch cells with unprecedented power densities and energy densities (325 Wh kg−1 and 1412 W kg−1, respectively). This work addresses the problem of low power densities in the current Li-S technology, thus making the Li-S batteries a strong candidate in more application scenarios

An oxalate cathode for lithium ion batteries with combined cationic and polyanionic redox

Authors acknowledge financial support from the National Natural Science Foundation of China (51822210), the Australian Research Council (ARC) for its support through Discover Project (DP 140100193),Shenzhen Peacock Plan (KQJSCX20170331161244761), the Program for Guangdong Innovative and Entrepreneurial Teams (No. 2017ZT07C341), and the Development and Reform Commission of Shenzhen Municipality for the development of the “Low-Dimensional Materials and Devices” discipline.The growing demand for advanced lithium-ion batteries calls for the continued development of high-performance positive electrode materials. Polyoxyanion compounds are receiving considerable interest as alternative cathodes to conventional oxides due to their advantages in cost, safety and environmental friendliness. However, polyanionic cathodes reported so far rely heavily upon transition-metal redox reactions for lithium transfer. Here we show a polyanionic insertion material, Li2Fe(C2O4)2, in which in addition to iron redox activity, the oxalate group itself also shows redox behavior enabling reversible charge/discharge and high capacity without gas evolution. The current study gives oxalate a role as a family of cathode materials and suggests a direction for the identification and design of electrode materials with polyanionic frameworks.Publisher PDFPeer reviewe

Contributions to the macrofungi of Bolu and D\ufczce Provinces, Turkey

Volume: 95Start Page: 331End Page: 33

Contributions to the macrofungi of Kastamonu province, Turkey

Volume: 98Start Page: 177End Page: 18

A study of wood decaying macrofungi of the western Black Sea Region, Turkey

Volume: 93Start Page: 319End Page: 32

The First Alkaline-Earth Azidoaurate(III), Ba[Au(N₃)₄]₂ ⋅ 4 H₂O

Transparent, dark orange Ba[Au(N3)4]2 ⋅ 4 H2O was synthesized by reaction of Ba(N3)2 and AuCl3 or HAuCl4 in aqueous solution. The novel barium tetraazidoaurate(III) tetrahydrate crystallizes in the monoclinic space group Cc (no. 9) with a=1813.68(17) pm, b=1737.95(11) pm, c=682.04(8) pm and β=108.849(4)°. The predominant structural features of Ba[Au(N3)4]2 ⋅ 4 H2O are two crystallographically independent discrete anions [Au(N3)4]− with gold in a tetragonal planar coordination by nitrogen. Vibrational spectra show good agreement with those of other azidoaurates(III). Upon drying, this salt was shown to be a highly explosive material. © 2022 The Authors. Chemistr