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Chikashi Shinagawa, Yusuke Morikawa, Shin-Ichi Nishimura, Hiroshi Ushiyama, Atsuo Yamada, Koichi Yamashita
Na2 FePO4 F is a promising cathode material for a Na-ion battery because of its high electronic capacity and good cycle performance. In this work, first principle calculations combined with cluster expansion and the Monte Carlo method have been applied to analyze the charge and discharge processes of Na2 FePO4 F by examining the voltage curve and the phase diagram. As a result of the density functional theory calculation and experimental verification with structural analysis, we found that the most stable structure of Na1...
October 20, 2018: Journal of Computational Chemistry
Joan Esse Wilson, Michael C Trumbo, J Kevin Wilson, Claudia D Tesche
Social deficits are core to autism spectrum disorder (ASD). Current treatments are extremely time- and labor-intensive. Transcranial direct current stimulation (tDCS) may be a promising treatment modality to safely enhance treatments targeting social cognition and social skills. This pilot study investigates the effectiveness of social skills treatment interventions paired with anodal tDCS for six adults 18-58 years with ASD. Differences were predicted on the verbal fluency (VF) test and a test of social skills (TASSK-M) for verum (2...
October 19, 2018: Journal of Neural Transmission
Satoshi Yamamoto, Daisuke Ishii, Nao Ichiba, Arito Yozu, Yutaka Kohno
Transcranial direct current stimulation (tDCS) has been reported to modulate cortical excitability. Most studies on this topic addressed the modulation effects of tDCS on the upper extremities. Foot-sole tactile sensation is essential to gait, but little is known about the effect of tDCS on sensory function in the foot area. Here we administered tDCS to 10 healthy adults, and we observed that the modulation effects of cathodal tDCS on the left motor area led to a decrease in the tactile threshold of the left center of the distal pulp of the hallux...
October 16, 2018: Neuroscience Letters
Minglei Mao, Tao Gao, Singyuk Hou, Chunsheng Wang
Benefiting from a higher volumetric capacity (3833 mA h cm-3 for Mg vs. 2046 mA h cm-3 for Li) and dendrite-free Mg metal anode, reversible Mg batteries (RMBs) are a promising chemistry for applications beyond Li ion batteries. However, RMBs are still severely restricted by the absence of high performance cathodes for any practical application. In this review, we provide a critical and rigorous review of Mg battery cathode materials, mainly reported since 2013, focusing on the impact of structure and composition on magnesiation kinetics...
October 19, 2018: Chemical Society Reviews
Xiao Zhao, Shinobu Takao, Takuma Kaneko, Yasuhiro Iwasawa
It remains a big challenge to remarkably improve both oxygen reduction reaction (ORR) activity and long-term durability of Pt-M bimetal electrocatalysts simultaneously in the harsh cathode environment toward widespread commercialization of polymer electrolyte fuel cells (PEFC). In this account we found double-promotional effects of carbon micro coil (CMC) support on ORR performance and durability of octahedral Pt3 Ni nanoparticles (Oh Pt3 Ni/CMC). The Oh Pt3 Ni/CMC displayed remarkable improvements of mass activity (MA; 13...
October 19, 2018: Chemical Record: An Official Publication of the Chemical Society of Japan ... [et Al.]
Yanchao Jin, Yijun Shi, Riyao Chen, Xiao Chen, Xi Zheng, Yaoxing Liu
A reticulated vitreous carbon (RVC) cathode modified by anodic polarization in 20 wt% H2 SO4 solution was used for drinking water disinfection under a neutral low electrolyte concentration (0.25 g/L Na2 SO4 ) condition. The contribution of the modified RVC anode and the Ti/RuO2 cathode to disinfection was investigated. The influences of current, initial Escherichia coli load, temperature and water volume were studied. The results show that H2 O2 generation increased to approximately three times using the modification of the RVC...
October 11, 2018: Chemosphere
Jiaxin Zheng, Gaofeng Teng, Jinlong Yang, Ming Xu, Qiushi Yao, Zengqing Zhuo, Wanli Yang, Qihang Liu, Feng Pan
The discovery of anion redox activity is promising for boosting the capacity of lithium ion battery (LIB) cathodes. However, fundamental understanding of the mechanisms that trigger the anionic redox is still lacking. Here, using hybrid density functional study combined with experimental soft X-ray absorption spectroscopy (sXAS) measurements, we unambiguously proved that Li(2- x) FeSiO4 performs sequent cationic and anionic redox activity through delithiation. Specifically, Fe2+ is oxidized to Fe3+ during the first Li ion extraction per formula unit (f...
October 18, 2018: Journal of Physical Chemistry Letters
Kwing To Lai, Iryna Antonyshyn, Yurii Prots, Martin Valldor
Novel bichalcogenides with the general composition (Li2 TM)ChO (TM = Mn, Co; Ch = S, Se) were synthesized by single-step solid-state reactions. These compounds possess cubic anti-perovskite crystal structure with Pm3̅ m symmetry; TM and Li are disordered on the crystallographic site 3c. According to Goldschmidt tolerance factor calculations, the available space at the 3c site is too large for Li+ and TM2+ ions. As cathode materials, all title compounds perform less prominent in lithium-ion battery setups in comparison to the already known TM = Fe homologue; e...
October 18, 2018: Inorganic Chemistry
Toru Hatsukade, Alexander Schiele, Pascal Hartmann, Torsten Brezesinski, Jürgen Janek
Gas formation caused by parasitic side reactions is one of the fundamental concerns in state-of-the-art lithium-ion batteries, since gas bubbles might block local parts of the electrode surface, hindering lithium transport and leading to inhomogeneous current distributions. Here, we elucidate on the origin of CO2 , which is the dominant gaseous species associated with the layered lithium nickel cobalt manganese oxide (NCM) cathode, by implementing isotope labeling and electrolyte substitution in differential electrochemical mass spectrometry-differential electrochemical infrared spectroscopy (DEMS-DEIRS) measurements...
October 18, 2018: ACS Applied Materials & Interfaces
Woosuk Cho, Young Jin Lim, Sun-Me Lee, Jong Hwa Kim, Jun Ho Song, Ji-Sang Yu, Young-Jun Kim, Min-Sik Park
A facile Mn surface doping process is proposed to improve the structural and thermal stability of Ni-rich layered cathode materials (Ni ≥ 80%) for lithium-ion batteries (LIBs) in electric vehicles. In this work, we demonstrate that the surface structure of Ni-rich layered cathode materials can be stabilized by the introduction of a thin Mn-rich surface layer. This layer effectively reduces the direct exposure of highly reactive Ni at the surface, thus improving thermal stability and mitigating side reactions associated with a highly reactive Ni that cause the loss of reversible capacity...
October 18, 2018: ACS Applied Materials & Interfaces
Shuo Geng, Hu Liu, Weiwei Yang, Yongsheng Yu
Molybdenum disulfide (MoS2) has drawn persistent interests as one of the promising alternatives non-precious electrocatalyst to Pt for hydrogen evolution reaction (HER). However, the MoS2 catalytic efficiency is still lower than the Pt-based catalysts owing to insufficient active sites with inert more basal planes. Herein, we designed and synthesized the porous MoS2 nanosheets to activate the basal planes by etching away Al in Al-doped MoS2. And the optimized porous MoS2 shows a small onset overpotential as low as 136 mV, a large cathode current density of 10 mA/cm2 at η = 201 mV, a low Tafel slope of 62 mV decade-1, and high TOF of 0...
October 18, 2018: Chemistry: a European Journal
Yaqin Wang, Xinxin Xu, Luyao Liu, Jin Chen, Guimei Shi
Zn-air batteries, promising energy storage equipment with high energy density, light weight and a compact structure, are a perfect power source for electric vehicles. For a Zn-air battery, the activity of the air cathode electrocatalyst plays an important role in its performance. Here, employing a coordination polymer as a precursor, a composite material built from Co3O4 and Co-N active centres with nitrogen-doped mesoporous carbon as a matrix has been synthesized successfully. This composite material possesses outstanding activity and stability in the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) processes...
October 18, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Kyoungmin Min, Eunseog Cho
Intergranular cracking in the agglomerated form of secondary particles has been regarded as a major cause for mechanical degradation in layered oxide cathode materials for Li-ion batteries, but its detailed mechanistic origin linked to the mechanical properties of these materials is still unknown. In this study, a mesoscale simulation based on the description of the interaction between primary particles is established by combining the model of the shifted-force Lennard-Jones potential and granular Hertzian model to construct the microstructure of secondary particles of cathode materials...
October 18, 2018: Physical Chemistry Chemical Physics: PCCP
Shiping Zhao, Zhixuan Lv, Xuelin Guo, Chaoqian Liu, Hualin Wang, Weiwei Jiang, Shimin Liu, Nan Wang, Yunxian Cui, Wanyu Ding, Bing Han, Dongying Ju
Indium tin oxide (ITO) film is one of the ideal candidates for transparent conductive cathode in methylammonium lead halide perovskite solar cells. Thus, the diffusion of methyl group in ITO film is inevitable, which could deteriorate the optical-electrical property of ITO film. In this study, ITO films with and without (100) preferred orientation were bombarded by the low-energy methyl group beam. After the bombardment, the optical-electrical property of ITO film without (100) preferred orientation deteriorated...
October 16, 2018: Materials
Yueyao Zhong, Bin Chang, Yongliang Shao, Chengwei Xu, Yongzhong Wu, Xiaopeng Hao
Phase engineering has been demonstrated as an efficient way to enhance the catalytic activity. Here, phase- and morphology-modulated Ni3Se2/NiSe nanorod arrays through hydrothermal process are reported. Partial phases conversion can effectively enhance the electrical conductivity and yield more active sites due to the atom rearrangement in the phase transformation progress. Quite low overpotential of 166 mV for hydrogen evolution reaction (HER) and and 370 mV oxygen evolution reaction (OER) are obtained in optimal sample with content of NiSe phase 32...
October 17, 2018: ChemSusChem
Jinlong Gong, Xiaoxia Chang, Tuo Wang, Zhijian Zhao, Piaoping Yang, Jeffrey Greeley, Rentao Mu, Gong Zhang, Zhongmiao Gong, Zhibin Luo, Jun Chen, Yi Cui, Geoffrey Ozin
Artificial photosynthesis can store solar energy and reduce CO2 into fuels to potentially alleviate global warming and energy crisis. Compared to gas products, it remains a grand challenge to tune the product distribution of artificial photosynthesis to liquid fuels, such as CH3OH, that are suitable for storage and transport. This paper describes the introduction of metallic Cu nanoparticles (NPs) on Cu2O films to change the product distribution from gas products on bare Cu2O to predominant CH3OH via CO2 reduction in aqueous solutions...
October 17, 2018: Angewandte Chemie
Shanshan Zhu, Jianbin Zhou, Yong Guan, Wenlong Cai, Yingyue Zhao, Yuanchao Zhu, Linqin Zhu, Yongchun Zhu, Yitai Qian
To better couple with commercial cathodes, such as LiCoO2 and LiFePO4 , graphite-based composites containing a small proportion of silicon are recognized as promising anodes for practical application in lithium-ion batteries (LIBs). However, the prepared Si/C composite still suffers from either rapid capacity fading or the high cost up to now. Here, the facile preparation of hierarchical graphene-scaffolded silicon/graphite composite is reported. In this designed 3D structure, Si nanoparticles are homogeneously dispersed on commercial graphites and then uniformly encapsulated in the hierarchical graphene scaffold...
October 16, 2018: Small
Wei Zhou, Yuxuan Mao, Mangen Tang, Lan Long, Han Chen, Yang Li, Chuankun Jia
Tremella-like V₂O5 microspheres were successfully synthesized in this study through a facile hydrothermal method. The microstructures and electrochemical properties were investigated by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM) measurements and galvanostatic charge-discharge tests. V₂O5 microspheres with unique tremella-like structure exhibited good reversible capacity, with an initial discharge capacity of 147 mA·h·g-1 at 1 C rate. Moreover, the capacity retention rate was 91...
January 1, 2019: Journal of Nanoscience and Nanotechnology
Zhaoyong Chen, Zeng Zhang, Qunfang Zhao, Junfei Duan, Huali Zhu
The K-doped Li1- x K x FePO₄ ( x = 0, 0.005, 0.01, and 0.02) samples were synthesized successfully via a solid-state method, and the electronic structures of the samples were calculated by the first-principles based on density functional theory. Theoretical calculations show that the bandwidth of Li1- x K x FePO₄ decreases with the increase in K+ doping, which is consistent with the experimental results. It was demonstrated that Li0.995 K0.005 FePO₄ delivers higher capacity retention with 92.7% after 100 cycles compared with LiFePO₄ (86...
January 1, 2019: Journal of Nanoscience and Nanotechnology
Chengwei Kuang, Wen Zeng, Yanqiong Li
Rechargeable magnesium ion batteries with their intrinsic advantages, such as high capacity, low reduction potential and low cost, have been a major candidate for next generation batteries beyond lithium ion batteries. Although some researches have been done in this area, it is still at its early stage hindered by sluggish kinetics and development of electrodes. This review is aimed at exhibiting the key advancement of the cathodes and anodes. Currently used cathodes, Chevel phase, V₂O5 , MnO₂ and MoS₂ are detailed introduced...
January 1, 2019: Journal of Nanoscience and Nanotechnology
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