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https://www.readbyqxmd.com/read/28319385/structural-and-electronic-properties-of-transition-metal-oxides-attached-to-a-single-walled-cnt-as-a-lithium-ion-battery-electrode-a-first-principles-study
#1
Liew Weng Tack, Mohd Asyadi Azam, Raja Noor Amalina Raja Seman
Single-walled carbon nanotubes (SWCNTs) and metal oxides (MOs), such as manganese (IV) oxide (MnO2), cobalt (II, III) oxide (Co3O4), and nickel (II) oxide (NiO) hybrid structures, have received great attention because of their promising application in lithium-ion batteries (LIBs). As electrode materials for LIBs, the structure of SWCNT/MOs provides high power density, good electrical conductivity, and excellent cyclic stability. In this work, first-principles calculations were used to investigate the structural and electronic properties of MOs attached to (5, 5) SWCNT and Li-ion adsorption to SWCNT/ metal oxide composites as electrode materials in LIBs...
March 20, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28319367/structural-stability-from-crystallographic-shear-in-tio2-nb2o5-phases-cation-ordering-and-lithiation-behavior-of-tinb24o62
#2
Kent J Griffith, Anatoliy Senyshyn, Clare P Grey
The host structure and reversible lithium insertion and extraction of an intercalation compound, TiNb24O62, are described. Neutron diffraction, applied for the first time to TiNb24O62, allowed an accurate refinement of the complex block superstructure, particularly with respect to the oxygen sublattice. Analysis of the transition-metal sites revealed significant cation ordering in the mixed-metal oxide. Electrochemical analysis demonstrated highly reversible lithium intercalation with ca. 190 mA·h·g(-1) after 100 cycles (C/10 rate, 3 months)...
March 20, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28318219/structural-exfoliation-of-layered-cathode-under-high-voltage-and-its-suppression-by-interface-film-derived-from-electrolyte-additive
#3
Yunmin Zhu, Xueyi Luo, Huozhen Zhi, Xuerui Yang, Lidan Xing, Youhao Liao, Mengqing Xu, Weishan Li
Layered cathodes for lithium-ion battery, including LiCo1-x-yNixMnyO2 and xLi2MnO3·(1-x) LiMO2 (M=Mn, Ni and Co), are attractive for large scale applications such as electric vehicles, because they can deliver additional specific capacity when the end of charge voltage is improved to over 4.2 V. However, operation under a high voltage might cause capacity decaying of layered cathodes during cycling. The failure mechanisms that have been given, up to date, include the electrolyte oxidation decomposition, the Ni, Co or Mn ion dissolution and the phase transformation...
March 20, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28317951/facile-synthesis-of-nanoporous-li1-xv1-xo2-c-composites-as-promising-anode-materials-for-lithium-ion-batteries
#4
Peng Mei, Malay Pramanik, Jaewoo Lee, Toshiaki Takei, Yusuke Ide, Md Shahriar A Hossain, Jung Ho Kim, Yusuke Yamauchi
Recently, a layered material with composition Li1+xV1-xO2 has been discovered as a promising alternative anode material to graphite due to its high volumetric capacity and low operation potential. Herein, we demonstrate a mild and cost-effective synthetic methodology to construct a novel nanoporous anode material (P-LVO@C), comprising Li1+xV1-xO2 nanocrystals embedded in a porous carbon matrix. The thermal decomposition of organic materials, including a triblock copolymer (P123) and citric acid, in a N2 atmosphere is the source of the nanoporous carbon in the porous composite material, while citric acid also plays a crucial role in maintaining the reductive environment of the synthetic medium...
March 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28306233/coaxial-three-layered-carbon-sulfur-polymer-nanofibers-with-high-sulfur-content-and-high-utilization-for-lithium-sulfur-batteries
#5
Feng He, Jian Ye, Yuliang Cao, Lifen Xiao, Hanxi Yang, Xinping Ai
Great progress has been made on the cyclability and material utilization in recent development of lithium-sulfur (Li-S) batteries; however, most of the sulfur electrodes reported so far have a considerable low loading of sulfur (60%), which causes a substantial decrease of energy density and is therefore difficult for battery applications. To deal with this issue, we fabricate a novel sulfur composite with a coaxial three-layered structure, in which sulfur is deposited on carbon fibers and coated with poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate)(PEDOT/PSS), thus enabling a high sulfur loading of 70...
March 17, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28303794/effect-of-cobalt-alloying-on-the-electrochemical-performance-of-manganese-oxide-nanoparticles-nucleated-on-multiwalled-carbon-nanotubes
#6
Sajad Yazdani, Raana Kashfi-Sadabad, Alessandro Palmieri, William E Mustain, Michael Thompson Pettes
MnO is an electrically insulating material which limits its usefulness in lithium ion batteries. We demonstrate that the electrochemical performance of MnO can be greatly improved by using oxygen-functional groups created on the outer walls of multiwalled carbon nanotubes (MWCNTs) as nucleation sites for metal oxide nanoparticles. Based on the mass of the active material used in the preparation of electrodes, the composite conversion-reaction anode material Mn1-x Co x O/MWCNT with x = 0.2 exhibited the highest reversible specific capacity, 790 and 553 mAhg(-1) at current densities of 40 and 1600 mAg(-1), respectively...
April 18, 2017: Nanotechnology
https://www.readbyqxmd.com/read/28303437/molecular-dynamics-simulations-of-the-first-charge-of-a-li-ion-si-anode-nanobattery
#7
Diego E Galvez-Aranda, Victor Ponce, Jorge M Seminario
Rechargeable lithium-ion batteries are the most popular devices for energy storage but still a lot of research needs to be done to improve their cycling and storage capacity. Silicon has been proposed as an anode material because of its large theoretical capacity of ∼3600 mAh/g. Therefore, focus is needed on the lithiation process of silicon anodes where it is known that the anode increases its volume more than 300%, producing cracking and other damages. We performed molecular dynamics atomistic simulations to study the swelling, alloying, and amorphization of a silicon nanocrystal anode in a full nanobattery model during the first charging cycle...
April 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28302968/electrodes-modified-with-composite-layers-based-on-poly-3-4-ethylenedioxythiophene-as-sensors-for-paracetamol
#8
Karolina Sipa, Ewelina Socha, Slawomira Skrzypek, Pawel Krzyczmonik
Two sensors for paracetamol were obtained on the basis of a GC electrode modified with poly(3,4-ethylenedioxythiophene) (PEDOT). The first sensor was a GC electrode modified with a conductive composite layer of PEDOT doped with poly(4-lithium styrenesulfonic acid) (PSSLi), and the second one was a GC electrode modified by a composite of PEDOT doped with PSSLi and multiwall carbon nanotubes (MWCNT). A conductive PEDOT polymer film was used as an electron mediator with a rich electron cloud. Both sensors were developed for the determination of paracetamol (ACOP) in the presence of interference compounds...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28301219/management-of-comorbid-bipolar-disorder-and-substance-use-disorders
#9
Ihsan M Salloum, Edson Sherwood Brown
BACKGROUND: The comorbidity of substance use disorders (SUDs) in bipolar disorder is among the highest in psychiatric disorders. Evidence-based controlled psychosocial or pharmacological interventions trials, which may guide treatment decisions, have not been systematically reviewed. OBJECTIVE: To present a narrative review of the public health and clinical significance of this condition, including diagnostic and treatment implications, and to evaluate controlled trials conducted to date...
March 16, 2017: American Journal of Drug and Alcohol Abuse
https://www.readbyqxmd.com/read/28300072/unravelling-the-hidden-link-of-lithium-halides-and-application-in-the-synthesis-of-organocuprates
#10
Hong Yi, Dali Yang, Jie Xin, Xiaotian Qi, Yu Lan, Yi Deng, Chih-Wen Pao, Jyh-Fu Lee, Aiwen Lei
As a versatile metal, copper has demonstrated a wide application in acting as both organometallic reagent and catalyst. Organocuprates are among the most used organometallic reagents in the formation of new carbon-carbon bonds in organic synthesis. Therefore, revealing the real structures of organocuprates in solution is crucial to provide insights into the reactivity of organocuprates. Here we provide several important insights into organocuprate chemistry. The main finding contains the following aspects. The Cu(0) particles were detected via the reduction of CuX by nBuLi or PhLi...
March 16, 2017: Nature Communications
https://www.readbyqxmd.com/read/28295665/dual-functionalized-double-carbon-shells-coated-silicon-nanoparticles-for-high-performance-lithium-ion-batteries
#11
Shuangqiang Chen, Laifa Shen, Peter A van Aken, Joachim Maier, Yan Yu
To address the challenge of huge volume change and unstable solid electrolyte interface (SEI) of silicon in cycles, causing severe pulverization, this paper proposes a "double-shell" concept. This concept is designed to perform dual functions on encapsulating volume change of silicon and stabilizing SEI layer in cycles using double carbon shells. Double carbon shells coated Si nanoparticles (DCS-Si) are prepared. Inner carbon shell provides finite inner voids to allow large volume changes of Si nanoparticles inside of inner carbon shell, while static outer shell facilitates the formation of stable SEI...
March 15, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28294179/mixed-molybdenum-oxides-with-superior-performances-as-an-advanced-anode-material-for-lithium-ion-batteries
#12
Di Wu, Rui Shen, Rong Yang, Wenxu Ji, Meng Jiang, Weiping Ding, Luming Peng
A simple and effective carbon-free strategy is carried out to prepare mixed molybdenum oxides as an advanced anode material for lithium-ion batteries. The new material shows a high specific capacity up to 930.6 mAh·g(-1), long cycle-life (>200 cycles) and high rate capability. 1D and 2D solid-state NMR, as well as XRD data on lithiated sample (after discharge) show that the material is associated with both insertion/extraction and conversion reaction mechanisms for lithium storage. The well mixed molybdenum oxides at the microscale and the involvement of both mechanisms are considered as the key to the better electrochemical properties...
March 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28290694/liquid-sulfur-impregnation-of-microporous-carbon-accelerated-by-nanoscale-interfacial-effects
#13
Tod A Pascal, Irune Villaluenga, Kevin Hamilton Wujcik, Didier Devaux, Xi Jiang, Dunyang Rita Wang, Nitash P Balsara, David Prendergast
Impregnation of porous carbon matrices with liquid sulfur has been exploited to fabricate composite cathodes for lithium-sulfur batteries, aimed at confining soluble sulfur species near conducting carbon to prevent both loss of active material into the electrolyte and parasitic reactions at the lithium metal anode. Here, through extensive computer simulations, we uncover the strongly favorable interfacial free energy between liquid sulfur and graphitic surfaces that underlies this phenomenon. Previously unexplored curvature dependent enhancements are shown to favors the filling of smaller pores first and effect a quasi-liquid sulfur phase in microporous domains (diameters < 2nm), that persists ~30o below the expected freezing point...
March 14, 2017: Nano Letters
https://www.readbyqxmd.com/read/28290658/nanostructured-carbon-nitride-polymer-reinforced-electrolyte-to-enable-dendrite-suppressed-li-metal-batteries
#14
Jiulin Hu, Jing Tian, Chilin Li
Li metal batteries (LMBs) containing Li-S, Li-O2 and Li-fluoride batteries are attracting increasing attentions owing to their much higher energy density than that of Li-ion batteries. However current limitation for the progress of LMBs mainly comes from the uncontrolled formation and growth of Li dendrites at the anode side. In order to suppress dendrite growth, exploring novel nanostructured electrolyte of high modulus without degradation of Li-electrolyte interface appears to be a potential solution. Here we propose a light-weight polymer reinforced electrolyte based on g-C3N4 mesoporous microspheres as electrolyte filler for the first time...
March 14, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28290474/abrupt-response-of-chemical-weathering-to-late-quaternary-hydroclimate-changes-in-northeast-africa
#15
Luc Bastian, Marie Revel, Germain Bayon, Aurélie Dufour, Nathalie Vigier
Chemical weathering of silicate rocks on continents acts as a major sink for atmospheric carbon dioxide and has played an important role in the evolution of the Earth's climate. However, the magnitude and the nature of the links between weathering and climate are still under debate. In particular, the timescale over which chemical weathering may respond to climate change is yet to be constrained at the continental scale. Here we reconstruct the relationships between rainfall and chemical weathering in northeast Africa for the last 32,000 years...
March 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28287697/metal-organic-framework-derived-porous-hollow-co3o4-n-c-polyhedron-composite-with-excellent-energy-storage-capability
#16
Wenpei Kang, Yu Zhang, Lili Fan, Liangliang Zhang, Fangna Dai, Rongming Wang, Daofeng Sun
Metal-organic frameworks (MOFs) derived transition metal oxides exhibit enhanced performance in energy conversion and storage. In this work, porous hollow Co3O4 with N-doped carbon coating (Co3O4/N-C) polyhedrons have been prepared using cobalt-based MOFs as a sacrificial template. Assembled from tiny nanoparticles and N-doped carbon coating, Co3O4/N-C composite shortens the diffusion length of Li(+)/Na(+) ions and possesses an enhanced conductivity. And the porous and hollow structure is also beneficial for tolerating volume changes in the galvanostatic discharge/charge cycles as lithium/sodium battery anode materials...
March 17, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28287220/a-nav3-po4-3-c-hierarchical-nanofiber-in-high-alignment-exploring-a-novel-high-performance-anode-for-aqueous-rechargeable-sodium-batteries
#17
Linlin Ke, Jing Dong, Bo Lin, Tiantian Yu, Huifeng Wang, Sen Zhang, Chao Deng
The development of aqueous rechargeable sodium batteries (ARSBs) demands high-performance electrode materials, especially anode materials with low operating potential and competent electrochemical properties. The lithium/sodium vanadium phosphate family with good structural stability and abundant vanadium chemistry versatility is a promising series for energy storage applications. Herein, a new member in the sodium vanadium phosphate family, i.e. NaV3(PO4)3, is introduced as a novel anode candidate for ARSBs...
March 13, 2017: Nanoscale
https://www.readbyqxmd.com/read/28286596/confinement-effects-for-lithium-borohydride-comparing-silica-and-carbon-scaffolds
#18
Suwarno, Peter Ngene, Angeloclaudio Nale, Tamara M Eggenhuisen, Martin Oschatz, Jan Peter Embs, Arndt Remhof, Petra E de Jongh
LiBH4 is a promising material for hydrogen storage and as a solid-state electrolyte for Li ion batteries. Confining LiBH4 in porous scaffolds improves its hydrogen desorption kinetics, reversibility, and Li(+) conductivity, but little is known about the influence of the chemical nature of the scaffold. Here, quasielastic neutron scattering and calorimetric measurements were used to study support effects for LiBH4 confined in nanoporous silica and carbon scaffolds. Pore radii were varied from 8 Å to 20 nm, with increasing confinement effects observed with decreasing pore size...
March 2, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28281332/tightly-bound-double-caged-60-fullerene-derivatives-with-enhanced-solubility-structural-features-and-application-in-solar-cells
#19
Victor A Brotsman, Vitaliy A Ioutsi, Alexey V Rybalchenko, Vitaliy Yu Markov, Nikita M Belov, Natalia S Lukonina, Sergey I Troyanov, Ilya N Ioffe, Vasiliy A Trukhanov, Galina K Galimova, Artur A Mannanov, Dmitry N Zubov, Erhard Kemnitz, Lev N Sidorov, Tatiana V Magdesieva, Dmitry Yu Paraschuk, Alexey A Goryunkov
A series of novel highly soluble double-caged [60]fullerene derivatives were prepared by means of lithium salt-assisted [2+3]-cycloaddition. The bispheric molecules feature rigid linking of the fullerene spheres via a four-membered cycle and a pyrrolizidine bridge with an ester function CO2R (R=n-decyl, n-octadecyl, benzyl, and n-butyl: compounds 1a-d, respectively), as demonstrated by NMR spectroscopy and X-ray diffraction. Cyclic voltammetry studies revealed three closely overlapping pairs of reversible peaks due to consecutive one-electron reductions of fullerene cages, as well as an irreversible oxidation peak attributed to abstraction of an electron from the nitrogen lone electron pair...
March 9, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28280833/improving-the-capacity-of-lithium-sulfur-batteries-by-tailoring-the-polysulfide-adsorption-efficiency-of-hierarchical-oxygen-nitrogen-functionalized-carbon-host-materials
#20
Artur Schneider, Jürgen Janek, Torsten Brezesinski
The use of monolithic carbons with structural hierarchy and varying amounts of nitrogen and oxygen functionalities as sulfur host materials in high-loading lithium-sulfur cells is reported. The primary focus is on the strength of the polysulfide/carbon interaction with the goal of assessing the effect of (surface) dopant concentration on cathode performance. The adsorption capacity - which is a measure of the interaction strength between the intermediate lithium polysulfide species and the carbon - was found to scale almost linearly with the nitrogen level...
March 10, 2017: Physical Chemistry Chemical Physics: PCCP
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