3D porous Li3V2(PO4)3/hard carbon composites for improving the rate performance of lithium ion batteries

A 3D porous Li3V2(PO4)3/hard carbon composite delivers a capacity of 98 mA h g−1 after 1000 cycles at 10C.</p

Graphene-like carbon sheet/Fe3O4 nanocomposites derived from soda papermaking black liquor for high performance lithium ion batteries

Alkali lignins and its degradation products in the soda papermaking black liquor (SPBL) are renewable resource with the highest natural carbon content. In this work we convert SPBL into the high-performance carbon-based nanocomposite anodes. The unique functional groups of lignin biomass induce spontaneous formation of graphene-like carbon sheet (GCS) in-situ doped SiC/S. The lamellar GCS/FeO nanocomposite (GCS/FO-NC) is facilely prepared via one-step in-situ thermo-chemical method at 700\ua0°C, in which donut shaped FeO nanoparticles with superlattices and inner surface are homogeneously embedded in the interlayer of GCS and are also anchored on its surface. The GCS/FO-NC anode exhibits a ultrahigh first discharge specific capacity of 3829\ua0mAh\ua0g at 50\ua0mA\ua0g in a coin-type Li ion battery, which is more than 4 times the theoretical capacity (924\ua0mAh\ua0g) of FeO and 5 times that of the graphene anode (744\ua0mAh. g). Even at a high current density (1000\ua0mA\ua0g), it still exhibits a high reversible capacity (750\ua0mAh\ua0g) after 1400 discharge/charge cycles. More importantly, the removal efficiency of chemical oxygen demand of SPBL is up to 83.4% during the synthesis process, which reduce its load to environment and synthetic cost of carbon-based nanocomposite anodes

Elastic and electronic properties of fluorite RuO₂ from first principle

The elastic, thermodynamic, and electronic properties of fluorite RuO₂ under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and shear modulus are consistent with other theoretical values. The phase transition from modified fluorite-type to fluorite is 88 GPa (by localized density approximation, LDA) or 115.5 GPa (by generalized gradient approximation, GGA). The Young's modulus and Lamé's coefficients are also studied under high pressure. The structure turned out to be stable for the pressure up to 120 GPa by calculating elastic constants. In addition, the thermodynamic properties, including the Debye temperature, heat capacity, thermal expansion coefficient, Grüneisen parameter, and Poisson's ratio, are investigated. A small band gap is found in the electronic structure of fluorite RuO₂ and the bandwidth increases with the pressure. Also, the present mechanical and electronic properties demonstrate that the bonding nature is a combination of covalent, ionic, and metallic contributions.Пружнi, термодинамiчнi та електричнi властивостi флюориту RuO₂ при високому тиску дослiджуються за допомогою теорiї функцiоналу густини з плоскохвильовим псевдопотенцiалом. Оптимiзованi параметри гратки, пружнi сталi, об’ємний модуль i модуль зсуву узгоджуються з iншими теоретичними значеннями. Фазовий перехiд з модифiкованого флюориту до флюориту є при 88 GPa (наближення локальної густини, LDA), чи при 115.5 GPa (узагальнене градiєнтне наближення, GGA). Також дослiджено модуль Юнга i коефiцiєнти Ламе при високих тисках. Структура є стабiльною для тискiв до 120 GPa, якщо обчислювати пружнi сталi. Крiм того, дослiджено термодинамiчнi властивостi, включаючи температуру Дебая, теплоємнiсть, коефiцiєнт теплового розширення, параметр Грюнайзена i коефiцiєнт Пуассона. В електроннiй структурi флюориту RuO₂ знайдено малу зонну щiлину i ширина зони зростає iз тиском. Також, представленi механiчнi та електроннi властивостi демонструють, що природа зв’язування є комбiнацiєю ковалентного, iонного i металiчного вкладiв

Superconductivity and single crystal growth of Ni0:05TaS2

Superconductivity was discovered in a Ni0:05TaS2 single crystal. A Ni0:05TaS2 single crystal was successfully grown via the NaCl/KCl flux method. The obtained lattice constant c of Ni0:05TaS2 is 1.1999 nm, which is significantly smaller than that of 2H-TaS2 (1.208 nm). Electrical resistivity and magnetization measurements reveal that the superconductivity transition temperature of Ni0:05TaS2 is enhanced from 0.8 K (2H-TaS2) to 3.9 K. The charge-density-wave transition of the matrix compound 2H-TaS2 is suppressed in Ni0:05TaS2. The success of Ni0:05TaS2 single crystal growth via a NaCl/KCl flux demonstrates that NaCl/KCl flux method will be a feasible method for single crystal growth of the layered transition metal dichalcogenides.Comment: 13pages, 6 figures, Published in SS

First principles studies of a Xe atom adsorbed on Nb(110) surface

We study adsorption sites of a single Xe adatom on Nb(110) surface using a density functional theory approach: The on-top site is the most favorable position for the adsorption. We compare the binding features of the present study to earlier studies of a Xe adatom on close-packed (111) surface of face-centered cubic metals. The different features are attributed through a microscopic picture to the less than half filled d-states in Nb.Comment: 15 pages, 4 figure

WD + MS systems as the progenitor of SNe Ia

We show the initial and final parameter space for SNe Ia in a ($\log P^{\rm i}, M_{\rm 2}^{\rm i}$) plane and find that the positions of some famous recurrent novae, as well as a supersoft X-ray source (SSS), RX J0513.9-6951, are well explained by our model. The model can also explain the space velocity and mass of Tycho G, which is now suggested to be the companion star of Tycho's supernova. Our study indicates that the SSS, V Sge, might be the potential progenitor of supernovae like SN 2002ic if the delayed dynamical-instability model due to Han & Podsiadlowski (2006) is appropriate. Following the work of Meng, Chen & Han (2009), we found that the SD model (WD + MS) with an optically thick wind can explain the birth rate of supernovae like SN 2006X and reproduce the distribution of the color excess of SNe Ia. The model also predicts that at least 75% of all SNe Ia may show a polarization signal in their spectra.Comment: 6 pages, 2 figures, accepted for publication in Astrophysics & Space Science (Proceeding of the 4th Meeting on Hot Subdwarf Stars and Related Objects, edited by Zhanwen Han, Simon Jeffery & Philipp Podsiadlowski

Mass measurements of neutron-deficient Y, Zr, and Nb isotopes and their impact on rp and νp nucleosynthesis processes

© 2018 The Authors. Published by Elsevier B.V. This manuscript is made available under the terms of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International licence (CC BY-NC-ND 4.0). For further details please see: https://creativecommons.org/licenses/by-nc-nd/4.0/Using isochronous mass spectrometry at the experimental storage ring CSRe in Lanzhou, the masses of 82Zr and 84Nb were measured for the first time with an uncertainty of ∼10 keV, and the masses of 79Y, 81Zr, and 83Nb were re-determined with a higher precision. The latter are significantly less bound than their literature values. Our new and accurate masses remove the irregularities of the mass surface in this region of the nuclear chart. Our results do not support the predicted island of pronounced low α separation energies for neutron-deficient Mo and Tc isotopes, making the formation of Zr–Nb cycle in the rp-process unlikely. The new proton separation energy of 83Nb was determined to be 490(400) keV smaller than that in the Atomic Mass Evaluation 2012. This partly removes the overproduction of the p-nucleus 84Sr relative to the neutron-deficient molybdenum isotopes in the previous νp-process simulations.Peer reviewe