Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers

• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2017, 8, 2711–2718, doi:10.3762/bjnano.8.270

• monolayers of the type MX2 (M = Ti, Zr, Hf, V, Nb, Ta, Mo, Cr, W; X= S, Se, Te). The adsorption and diffusion of lithium on the stable MX2 phase was also investigated for potential application as an anode for lithium ion batteries. Some of these compounds were found to be stable in the 2H phase and some are

• monolayers explored in this work can be used as promising anode materials for lithium ion batteries. Keywords: anode materials; lithium adsorption; lithium diffusion; lithium ion batteries; transition metal dichalcogenide; Introduction Lithium ion batteries (LIBs) have been widely used in portable

• 1.66 and 1.96 eV, respectively. The diffusion energy barrier is in the range between 0.17 and 0.63 eV for lithium on MX2 monolayers, and most of the materials are around 0.25 eV. It is therefore concluded that most of the MX2 monolayers can be used as promising anode materials for lithium ion batteries

Synthesis of metal-fluoride nanoparticles supported on thermally reduced graphite oxide

• Alexa Schmitz,
• Kai Schütte,
• Vesko Ilievski,
• Juri Barthel,
• Laura Burk,
• Rolf Mülhaupt,
• Junpei Yue,
• Bernd Smarsly and
• Christoph Janiak

Beilstein J. Nanotechnol. 2017, 8, 2474–2483, doi:10.3762/bjnano.8.247

• the MFx-NPs. Electrochemical investigations of the FeF2-NPs@TRGO as cathode material for lithium-ion batteries were evaluated by galvanostatic charge/discharge profiles. The results indicate that the FeF2-NPs@TRGO as cathode material can present a specific capacity of 500 mAh/g at a current density of

• heterogeneous nanocatalysts [55][56]. Transition-metal-fluoride nanoparticles are applied, for example, as cathode materials in lithium-ion batteries for vehicles and other mobile devices [57]. In this field, the modification of lithium–transition-metal electrodes is a very important issue to improve the

• performance of lithium-ion batteries [58][59][60][61]. Herein, we report on the utilization of metal amidinates (M{MeC[N(iPr)]2}n or M(AMD)n) of iron, cobalt and praseodymium and of tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium, Eu(dpm)3 as precursors with different types of TRGO for the synthesis of

Systematic control of α-Fe₂O₃ crystal growth direction for improved electrochemical performance of lithium-ion battery anodes

• Nan Shen,
• Miriam Keppeler,
• Barbara Stiaszny,
• Holger Hain,
• Filippo Maglia and
• Madhavi Srinivasan

Beilstein J. Nanotechnol. 2017, 8, 2032–2044, doi:10.3762/bjnano.8.204

• derivatives as shape-controlling agents (SCAs) for application as anodes in lithium-ion batteries (LIBs). The physicochemical characteristics were investigated via XRD and FESEM, revealing well-crystallized α-Fe2O3 with adjustable nanorod lengths between 240 and 400 nm and aspect ratios in the range from 2.6

• power sources, lithium-ion batteries (LIBs) are considered as the most promising candidates, since LIBs offer the highest energy density of all known rechargeable battery systems [2][3][4]. In order to address today’s challenges of electromobility (e.g., customer acceptance of BEVs by extending driving

Freestanding graphene/MnO₂ cathodes for Li-ion batteries

• Şeyma Özcan,
• Aslıhan Güler,
• Tugrul Cetinkaya,
• Mehmet O. Guler and
• Hatem Akbulut

Beilstein J. Nanotechnol. 2017, 8, 1932–1938, doi:10.3762/bjnano.8.193

• storage requirements with high performance are of great need because of rapid improvement of mobile and stationary electronic applications. Lithium-ion batteries have been one of the key energy storage devices to meet these energy demands since the last century [1]. However, increased capacity and energy

Fabrication of hierarchically porous TiO₂ nanofibers by microemulsion electrospinning and their application as anode material for lithium-ion batteries

• Jin Zhang,
• Yibing Cai,
• Xuebin Hou,
• Xiaofei Song,
• Pengfei Lv,
• Huimin Zhou and
• Qufu Wei

Beilstein J. Nanotechnol. 2017, 8, 1297–1306, doi:10.3762/bjnano.8.131

• its rapid development in lithium-ion batteries (LIB). In order to improve the electrochemical performances of TiO2 nanomaterials as anode for LIB, hierarchically porous TiO2 nanofibers with different tetrabutyl titanate (TBT)/paraffin oil ratios were prepared as anode for LIB via a versatile single

• −1 after 60 cycles at increasing stepwise current density from 40 mA·g−1 to 800 mA·g−1. Herein, hierarchically porous TiO2 nanofibers have the potential to be applied as anode for lithium-ion batteries in practical applications. Keywords: anode; hierarchically porous TiO2 nanofibers; lithium-ion

• , which is considered to be a vital part in the field of renewable resources, has attracted much attention in recent years. Substantial effort has been made to improve the performance of electrode materials for lithium-ion batteries aiming at aspects including safety, energy density, lifetime and power

Vapor deposition routes to conformal polymer thin films

• Priya Moni,
• Ahmed Al-Obeidi and
• Karen K. Gleason

Beilstein J. Nanotechnol. 2017, 8, 723–735, doi:10.3762/bjnano.8.76

• times the Young’s Modulus of a bare CNT sheet [40]. Emerging applications for ultrathin polymer films on nanostructured high aspect ratio structures include various energy storage devices and soft electronics. For instance, silicon based anodes are of interest for lithium ion batteries since Li–Si

• . Gleason and coworkers, having previously shown pV4D4 as potential solid electrolyte, are exploring the Si nanowire assembly in Figure 8a as a route toward anodes for micro lithium ion batteries [39]. Figure 9e shows a corresponding, conformal pV4D4 coating on a lithium spinel oxide particle, a material

• that can be used as a cathode for micro lithium ion batteries. Composite electrodes for supercapacitors have been developed by forming pseudo-capacitive, conjugated polymer thin films on various electrodes such as vertically aligned CNTs, aligned graphene flakes, and nano-porous anodized alumina (NAA

Synthesis of graphene–transition metal oxide hybrid nanoparticles and their application in various fields

• Arpita Jana,
• Elke Scheer and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2017, 8, 688–714, doi:10.3762/bjnano.8.74

• ) and therefore offers the possibility to fabricate a large variety of graphene–transition metal oxide (TMO) NP hybrids. These hybrid materials are promising alternatives to reduce the drawbacks of using only TMO NPs in various applications, such as anode materials in lithium ion batteries (LIBs

Carbon nanotube-wrapped Fe₂O₃ anode with improved performance for lithium-ion batteries

• Guoliang Gao,
• Yan Jin,
• Qun Zeng,
• Deyu Wang and
• Cai Shen

Beilstein J. Nanotechnol. 2017, 8, 649–656, doi:10.3762/bjnano.8.69

• material of lithium-ion batteries (LIBs) because they offer high theoretical capacities, and are environmentally friendly and widely available. However, the low electronic conductivity and severe irreversible lithium storage have hindered a practical application. Herein, we employed ethanolamine as

• precursor to prepare Fe2O3/COOH-MWCNT composites through a simple hydrothermal synthesis. When these composites were used as electrode material in lithium-ion batteries, a reversible capacity of 711.2 mAh·g−1 at a current density of 500 mA·g−1 after 400 cycles was obtained. The result indicated that Fe2O3

• /COOH-MWCNT composite is a potential anode material for lithium-ion batteries. Keywords: anode material; carbon nanotubes; hydrothermal synthesis method; lithium-ion batteries; Introduction The depletion of non-renewable energy resources such as coal, petrol and natural gas has led to the urgent need

Role of oxygen in wetting of copper nanoparticles on silicon surfaces at elevated temperature

• Tapas Ghosh and
• Biswarup Satpati

Beilstein J. Nanotechnol. 2017, 8, 425–433, doi:10.3762/bjnano.8.45

• recent years, several CuO nanostructure syntheses and their applications have been reported. Different shaped CuO nanostructures such as nanowires, nanoplatelets, nanorods, and nanoflowers have been employed as the anode material for lithium ion batteries [4][5][6][7], and improved performance has also

Phosphorus-doped silicon nanorod anodes for high power lithium-ion batteries

• Chao Yan,
• Qianru Liu,
• Jianzhi Gao,
• Zhibo Yang and
• Deyan He

Beilstein J. Nanotechnol. 2017, 8, 222–228, doi:10.3762/bjnano.8.24

• were fabricated on CuO nanorods for application in high power lithium-ion batteries. Since the conductivity of lithiated CuO is significantly better than that of CuO, after the first discharge, the voltage cut-off window was then set to the range covering only the discharge–charge range of Si. Thus

• . Keywords: in situ reduction; lithium-ion battery; silicon anode; silicon nanorods; Introduction As one of the most popular secondary power sources, lithium-ion batteries (LIBs) are widely used in portable personal electronics, electrical vehicles and grid energy storage because of their high energy and

Improved lithium-ion battery anode capacity with a network of easily fabricated spindle-like carbon nanofibers

• Mengting Liu,
• Wenhe Xie,
• Lili Gu,
• Tianfeng Qin,
• Xiaoyi Hou and
• Deyan He

Beilstein J. Nanotechnol. 2016, 7, 1289–1295, doi:10.3762/bjnano.7.120

• into the amorphous carbon matrix. When directly used as a binder-free anode for lithium-ion batteries, the network showed excellent electrochemical performance with high capacity, good rate capacity and reliable cycling stability. Under a current density of 0.2 A g−1, it delivered a high reversible

• capacity of 875.5 mAh g−1 after 200 cycles and 1005.5 mAh g−1 after 250 cycles with a significant coulombic efficiency of 99.5%. Keywords: carbon nanofiber network; electrospinning; lithium-ion battery; manganese oxide; nitrogen modification; Introduction Lithium-ion batteries (LIBs) have been identified

• voltammetry curves, (b) galvanostatic discharge–charge profiles, (c) rate capacity, and (d, e) cycling performance of the network of spindle-like carbon nanofibers anchored with MnO and N. Lithium storage performance of some comparable MnO–C-composite-based anodes for lithium-ion batteries (LIBs

Mesoporous hollow carbon spheres for lithium–sulfur batteries: distribution of sulfur and electrochemical performance

• Anika C. Juhl,
• Artur Schneider,
• Boris Ufer,
• Torsten Brezesinski,
• Jürgen Janek and
• Michael Fröba

Beilstein J. Nanotechnol. 2016, 7, 1229–1240, doi:10.3762/bjnano.7.114

• mass of sulfur over 500 cycles. Keywords: carbon/sulfur composites; cycling stability; distribution of sulfur in pores; hollow carbon spheres; lithium–sulfur batteries; Introduction In the past 20 years, rechargeable lithium–ion batteries have proven to be superior energy storage devices and have

Manufacturing and investigation of physical properties of polyacrylonitrile nanofibre composites with SiO₂, TiO₂ and Bi₂O₃ nanoparticles

• Tomasz Tański,
• Wiktor Matysiak and
• Barbara Hajduk

Beilstein J. Nanotechnol. 2016, 7, 1141–1155, doi:10.3762/bjnano.7.106

• obtained composite mats, reinforced with silicon oxide, are a promising starting material that can be used to produce carbon anodes, which are used in lithium-ion batteries, after their subsequent treatment by carbonisation and chemical removal of the reinforcing phases in order to increase the porosity of

• produced by using electrospinning from solutions of polymers based on polyacrylonitrile (PAN) and N,N-dimethylformamide (DMF) with ceramic nanoparticles of SiO2/TiO2/Bi2O3. PAN/SiO2 composite nanofibres are used as membranes in the production of air filters, gas absorbents and new types of lithium-ion

• batteries [21][22][23][24]. Studies on nanofibre composite mats of PAN/TiO2 have shown large photocatalytic efficiency under ultraviolet light and the potential use of these mats as catalyst in the decomposition of phenol, airborne aromatic compounds and methylene blue [25][26][27][28]. However, PAN/Bi2O3

Synthesis and applications of carbon nanomaterials for energy generation and storage

• Marco Notarianni,
• Jinzhang Liu,
• Kristy Vernon and
• Nunzio Motta

Beilstein J. Nanotechnol. 2016, 7, 149–196, doi:10.3762/bjnano.7.17

Surfactant-controlled composition and crystal structure of manganese(II) sulfide nanocrystals prepared by solvothermal synthesis

• Elena Capetti,
• Anna M. Ferretti,
• Vladimiro Dal Santo and
• Alessandro Ponti

Beilstein J. Nanotechnol. 2015, 6, 2319–2329, doi:10.3762/bjnano.6.238

• ), ≈100 K (β-MnS), and 154 K (α-MnS) [6]. The interesting physical properties and the rich polymorphism prompted research on MnS nanocrystals (NCs) in view of applications as photoluminescent components [7], photoreduction catalysts [8], anode materials in lithium-ion batteries [9], and supercapacitor

Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

• Luc Aymard,
• Yassine Oumellal and
• Jean-Pierre Bonnet

Beilstein J. Nanotechnol. 2015, 6, 1821–1839, doi:10.3762/bjnano.6.186

• .6.186 Abstract The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different

• which share the knowledge of both hydrogen-storage and lithium-anode communities. Keywords: conversion reaction; lithium-ion batteries; metal hydrides; Review Introduction To satisfy the continuously raising need for energy is now a key priority worldwide. The challenge is to obtain environmentally

• graphite with Mg2NiH4: 963 A·h·kg−1, 2822 A·h·L−1; Mg2CoH5: 1191 A·h·kg−1, 3200 A·h·L−1; Mg2FeH6: 1456 A·h·kg−1, 3995 A·h·L−1). These large capacities render hydrides as good candidate material for negative electrodes in lithium-ion batteries for stationary as well as mobile applications for which the

From lithium to sodium: cell chemistry of room temperature sodium–air and sodium–sulfur batteries

• Philipp Adelhelm,
• Pascal Hartmann,
• Conrad L. Bender,
• Martin Busche,
• Christine Eufinger and
• Juergen Janek

Beilstein J. Nanotechnol. 2015, 6, 1016–1055, doi:10.3762/bjnano.6.105

• battery; lithium–sulfur battery; sodium–oxygen battery; sodium–sulfur battery; Review 1 Introduction Rechargeable lithium-ion batteries (LIBs) have rapidly become the most important form of energy storage for all mobile applications since their commercialization in the early 1990s. This is mainly due to

• that provide specific advantages that complement Li-ion technology in special applications) are expected. It is interesting to note that sodium-ion and lithium-ion batteries were studied in the 1970s and 1980s. However, due to the success of the lithium-ion battery (and probably the insufficient

Multiscale modeling of lithium ion batteries: thermal aspects

• Arnulf Latz and
• Jochen Zausch

Beilstein J. Nanotechnol. 2015, 6, 987–1007, doi:10.3762/bjnano.6.102

• .6.102 Abstract The thermal behavior of lithium ion batteries has a huge impact on their lifetime and the initiation of degradation processes. The development of hot spots or large local overpotentials leading, e.g., to lithium metal deposition depends on material properties as well as on the nano- und

• special cases the averaged thermal behavior can be captured very well by porous electrode theory. Keywords: lithium ion batteries; multiscale modeling; heat transport; Introduction The main challenge for establishing an ab initio multiscale simulation approach for batteries or electrochemical storage

• [38][39][40][41]. Most of the literature on heat transport in lithium ion batteries uses phenomenological porous electrode theories [42][43][44][45][46][47][48][49], which are not based on a systematically derived thermodynamic consistent theory. In [45], the porous electrode theory is derived with

Effects of swift heavy ion irradiation on structural, optical and photocatalytic properties of ZnO–CuO nanocomposites prepared by carbothermal evaporation method

• Sini Kuriakose,
• D. K. Avasthi and
• Satyabrata Mohapatra

Beilstein J. Nanotechnol. 2015, 6, 928–937, doi:10.3762/bjnano.6.96

• promising for applications ranging from solar cells to lithium-ion batteries [26][27][28][29]. ZnO–CuO nanocomposites formed by combining ZnO and CuO nanostructures are expected to exhibit improved physicochemical properties as compared to pure ZnO and CuO nanostructures, because of the formation of nano

Carbon nano-onions (multi-layer fullerenes): chemistry and applications

• Juergen Bartelmess and
• Silvia Giordani

Beilstein J. Nanotechnol. 2014, 5, 1980–1998, doi:10.3762/bjnano.5.207

• capacitors and lithium-ion batteries and will be discussed in the corresponding part of this review article. Toxicological aspects In the context of applications in biology and medicine, newly employed nanomaterials should be carefully evaluated with regard to biocompatibility, environmental health and

• counter electrode. The capacitance of pure MnO2 (40 F·g−1) could be increased by the incorporation of CNO up to 177.5 F·g−1. In addition, the authors report an excellent cycling stability with 99–101% retention of the specific capacitance after 1000 cycles. Lithium-Ion batteries: Carbon nanotubes are

• widely studied for a use in lithium ion batteries [63]. However, also CNOs were studied for a potential application as anode materials. Han et al., for example, reported the large scale synthesis of CNOs starting from CuCl2·2 H2O and CaC2 and found that they exhibit a high capacity in combination with a

Magnesium batteries: Current state of the art, issues and future perspectives

• Rana Mohtadi and
• Fuminori Mizuno

Beilstein J. Nanotechnol. 2014, 5, 1291–1311, doi:10.3762/bjnano.5.143

• as in hybrid (HV), plug-in hybrid (PHEV) and electric vehicles (EV) up to large scale stationary and grid applications [1][4]. As one of the scalable battery systems, lithium-ion batteries have been at the forefront in attracting great interests since the great discovery and ingenious use of Li-ion

• electrolytes resulted in state of the art systems that primarily consist of organohalo-aluminate complexes possessing electrochemical properties that rival those observed in lithium ion batteries. These are represented by a highly reversible performance, high bulk conductivity, and wide electrochemical windows

Atomic layer deposition, a unique method for the preparation of energy conversion devices

• Julien Bachmann

Beilstein J. Nanotechnol. 2014, 5, 245–248, doi:10.3762/bjnano.5.26

• ) Andreas Anderluh and Bela Hausmann). A non-exhaustive list of exemplary ALD applications in energy conversion devices illustrated in this Thematic Series and in previous literature. Reviews have been published recently on the applications of ALD in photovoltaics [11], lithium ion batteries [12], and solid

Adsorption of the ionic liquid [BMP][TFSA] on Au(111) and Ag(111): substrate effects on the structure formation investigated by STM

• Benedikt Uhl,
• Florian Buchner,
• Dorothea Alwast,
• Nadja Wagner and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2013, 4, 903–918, doi:10.3762/bjnano.4.102

• optimize ionic liquids for a specific application. Aside from many other applications, ionic liquids have been proposed as promising new solvents in electrochemical applications, e.g., in lithium ion batteries [8][9][10]. For the latter application, trifluoromethylsulfonyl imide [TFSA] based ionic liquids

Ellipsometry and XPS comparative studies of thermal and plasma enhanced atomic layer deposited Al₂O₃-films

• Jörg Haeberle,
• Karsten Henkel,
• Hassan Gargouri,
• Franziska Naumann,
• Bernd Gruska,
• Michael Arens,
• Massimo Tallarida and
• Dieter Schmeißer

Beilstein J. Nanotechnol. 2013, 4, 732–742, doi:10.3762/bjnano.4.83

• solar energy conversion systems like dye sensitized solar cells [11][12] and water splitting devices [13] or lithium ion batteries [14]. Here, in particular the excellent conformability of ALD growth over high surface area materials and its uniformity and self-termination [15] were beneficially applied

Influence of particle size and fluorination ratio of CF_x precursor compounds on the electrochemical performance of C–FeF₂ nanocomposites for reversible lithium storage

• Ben Breitung,
• M. Anji Reddy,
• Venkata Sai Kiran Chakravadhanula,
• Michael Engel,
• Christian Kübel,
• Annie K. Powell,
• Horst Hahn and
• Maximilian Fichtner

Beilstein J. Nanotechnol. 2013, 4, 705–713, doi:10.3762/bjnano.4.80

• ; enregy-related; graphite fluoride; lithium battery; iron fluoride; Introduction Lithium-ion batteries are key energy storage systems for portable and mobile electric devices. However, for applications that need high energy densities, current insertion-based lithium-ion batteries do not match the targets