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https://www.readbyqxmd.com/read/29667831/a-rigorous-method-of-calculating-exfoliation-energies-from-first-principles
#1
Jong Hyun Jung, Cheol-Hwan Park, Jisoon Ihm
The exfoliation energy, the energy required to peel off an atomic layer from the surface of a bulk material, is of fundamental importance in the science and engineering of two-dimensional materials. Traditionally, the exfoliation energy of a material has been obtained from first-principles by calculating the difference in the ground-state energy between (i) a slab of N atomic layers ( N ≫ 1) and (ii) a slab of N - 1 atomic layers plus an atomic layer separated from the slab. In this paper, we prove that the exfoliation energy can be obtained exactly as the difference in the ground-state energy between a bulk material (per atomic layer) and a single isolated layer...
April 18, 2018: Nano Letters
https://www.readbyqxmd.com/read/29667363/a-rechargeable-high-temperature-molten-salt-iron-oxygen-battery
#2
Cheng Peng, Chengzhi Guan, Jun Lin, Shiyu Zhang, Hongliang Bao, Yu Wang, Guoping Xiao, George Zheng Chen, Jianqiang Wang
The energy and power density of conventional batteries are far lower than their theoretical expectations, primarily because of the slow reaction kinetics in the battery that is often working under ambient conditions. Here we describe a low-cost and high-temperature rechargeable iron-oxygen battery containing a cascade bi-phase electrolyte of molten carbonate and solid oxide. This new design merges the merits of solid oxide fuel cell and molten metal-air battery, offering significantly improved battery reaction kinetics and hence the power capability without compromising the energy capacity...
April 17, 2018: ChemSusChem
https://www.readbyqxmd.com/read/29667348/defective-n-s-codoped-3d-cheese-like-porous-carbon-nanomaterial-toward-efficient-oxygen-reduction-and-zn-air-batteries
#3
Jiawei Zhu, Wenqiang Li, Shuaihu Li, Jian Zhang, Huang Zhou, Chengtian Zhang, Jianan Zhang, Shichun Mu
Developing a facile and cost-efficient method to synthesize carbon-based nanomaterials possessing excellent structural and functional properties has become one of the most attractive topics in energy conversion and storage fields. In this study, density functional theory calculation results reveal the origin of high oxygen reduction reaction (ORR) activity predominantly derived from the synergistic effect of intrinsic defects and heteroatom dopants (e.g., N, S) that modulate the bandgap and charge density distribution of carbon matrix...
April 18, 2018: Small
https://www.readbyqxmd.com/read/29666849/a-rational-microstructure-design-of-sns-2-carbon-composites-for-superior-sodium-storage-performance
#4
Yi Zhao, Binbin Guo, Qianqian Yao, Jiaxin Li, Jianshuo Zhang, Kun Hou, Lunhui Guan
Sodium ion batteries (SIBs) have attracted ever-growing attention as promising candidates for large-scale energy storage applications, due to the abundant sodium resources and their low cost. Nevertheless, it is still a significant challenge to realize superior electrode materials with high capacity and good cyclability. To address these problems, herein, a rational microstructure of the SnS2-carbon composite has been designed for superior performance, which consists of MWNTs as a carbon matrix, the SnS2 nanosheet (NS) as an active material, the outer carbon coating as a protection layer, as well as the interior void space for volume accommodation...
April 18, 2018: Nanoscale
https://www.readbyqxmd.com/read/29666428/social-thermoregulation-as-a-potential-mechanism-linking-sociality-and-fitness-barbary-macaques-with-more-social-partners-form-larger-huddles
#5
Liz A D Campbell, Patrick J Tkaczynski, Julia Lehmann, Mohamed Mouna, Bonaventura Majolo
Individuals with more or stronger social bonds experience enhanced survival and reproduction in various species, though the mechanisms mediating these effects are unclear. Social thermoregulation is a common behaviour across many species which reduces cold stress exposure, body heat loss, and homeostatic energy costs, allowing greater energetic investment in growth, reproduction, and survival, with larger aggregations providing greater benefits. If more social individuals form larger thermoregulation aggregations due to having more potential partners, this would provide a direct link between sociality and fitness...
April 17, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29665495/towards-better-microbial-safety-of-fresh-produce-chlorophyllin-based-photosensitization-for-microbial-control-of-foodborne-pathogens-on-cherry-tomatoes
#6
Egle Paskeviciute, Bernadeta Zudyte, Zivile Luksiene
The aim of this study is to evaluate the antimicrobial efficiency of Chlorophyllin-based photosensitization for microbial control of cherry tomatoes. Chlorophyllin-based photosensitization (1.5 × 10-4  M, 3 J/cm2 ) significantly (2.4 log) reduced the population of naturally distributed surface attached various mesophilic bacteria (microbiota) on tomatoes. Moreover, the population of thermoresistant strains of food pathogens Bacillus cereus and Listeria monocytogenes inoculated on tomatoes was reduced by 1...
April 11, 2018: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/29665463/long-term-exposure-to-wind-turbine-noise-at-night-and-risk-for-diabetes-a-nationwide-cohort-study
#7
Aslak Harbo Poulsen, Ole Raaschou-Nielsen, Alfredo Peña, Andrea N Hahmann, Rikke Baastrup Nordsborg, Matthias Ketzel, Jørgen Brandt, Mette Sørensen
Focus on renewable energy sources and reduced unit costs has led to increased number of wind turbines (WTs). WT noise (WTN) is reported to be highly annoying at levels from 30 to 35 dB and up, whereas for traffic noise people report to be highly annoyed from 40 to 45 dB and up. This has raised concerns as to whether WTN may increase risk for major diseases, as exposure to traffic noise has consistently been associated with increased risk of cardiovascular disease and diabetes. We identified all Danish dwellings within a radius of 20 WT heights and 25% of all dwellings within 20-40 WT heights from a WT...
April 14, 2018: Environmental Research
https://www.readbyqxmd.com/read/29665268/co-9-s-8-nanoparticles-embedded-n-s-codoped-carbon-nanofibers-derived-from-metal-organic-framework-wrapped-cds-nanowires-for-efficient-oxygen-evolution-reaction
#8
Lan-Lan Wu, Qi-Shun Wang, Jian Li, Yan Long, Yu Liu, Shu-Yan Song, Hong-Jie Zhang
Metal-organic frameworks (MOFs) with tunable compositions and morphologies are recognized as efficient self-sacrificial templates to achieve function-oriented nanostructured materials. Moreover, it is urgently needed to develop highly efficient noble metal-free oxygen evolution reaction (OER) electrocatalysts to accelerate the development of overall water splitting green energy conversion systems. Herein, a facile and cost-efficient strategy to synthesize Co9 S8 nanoparticles-embedded N/S-codoped carbon nanofibers (Co9 S8 /NSCNFs) as highly active OER catalyst is developed...
April 17, 2018: Small
https://www.readbyqxmd.com/read/29665218/simplified-perovskite-solar-cell-with-4-1-efficiency-employing-inorganic-cspbbr-3-as-light-absorber
#9
Jialong Duan, Yuanyuan Zhao, Benlin He, Qunwei Tang
Perovskite solar cells with cost-effectiveness, high power conversion efficiency, and improved stability are promising solutions to the energy crisis and environmental pollution. However, a wide-bandgap inorganic-semiconductor electron-transporting layer such as TiO2 can harvest ultraviolet light to photodegrade perovskite halides, and the high cost of a state-of-the-art hole-transporting layer is an economic burden for commercialization. Here, the building of a simplified cesium lead bromide (CsPbBr3 ) perovskite solar cell with fluorine-doped tin oxide (FTO)/CsPbBr3 /carbon architecture by a multistep solution-processed deposition technology is demonstrated, achieving an efficiency as high as 4...
April 17, 2018: Small
https://www.readbyqxmd.com/read/29665112/dielectric-screening-meets-optimally-tuned-density-functionals
#10
REVIEW
Leeor Kronik, Stephan Kümmel
A short overview of recent attempts at merging two independently developed methods is presented. These are the optimal tuning of a range-separated hybrid (OT-RSH) functional, developed to provide an accurate first-principles description of the electronic structure and optical properties of gas-phase molecules, and the polarizable continuum model (PCM), developed to provide an approximate but computationally tractable description of a solvent in terms of an effective dielectric medium. After a brief overview of the OT-RSH approach, its combination with the PCM as a potentially accurate yet low-cost approach to the study of molecular assemblies and solids, particularly in the context of photocatalysis and photovoltaics, is discussed...
April 17, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29664614/offset-initial-sodium-loss-to-improve-coulombic-efficiency-and-stability-of-sodium-dual-ion-batteries
#11
Ruifang Ma, Ling Fan, Suhua Chen, Zengxi Wei, Yuhua Yang, Hongguan Yang, Yong Qin, Bingan Lu
Sodium dual ion batteries (NDIBs) are attracting extensive attention recently due to their low cost and abundant sodium resources. However, the low capacity of the carbonaceous anode would reduce the energy density and the solid-electrolyte interphase (SEI) formation in the anode during the initial cycles would consume large amount Na+ in the electrolyte, resulting in low Coulombic efficiency and inferior stability of the NDIBs. To address these issues, a phosphorus-doped soft carbon (P-SC) anode combination with a pre-sodiation process is developed to enhance the performance of the NDIBs...
April 17, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29664284/dissolution-mechanisms-of-lini1-3mn1-3co1-3o2-positive-electrode-material-from-lithium-ion-batteries-in-acid-solution
#12
Emmanuel Billy, Marion Joulié, Richard Laucournet, Adrien Boulineau, Eric De Vito, Daniel Meyer
The sustainability through the energy and environmental costs involve the development of new cathode materials in considering the materials abundance, the toxicity and the end of life. Currently, some synthesis methods of new cathode materials and a large majority of recycling processes are based on acidic solutions use. This study addresses the mechanistic and limiting aspects on the dissolution of layered LiNi1/3Mn1/3Co1/3O2 oxide in acidic solution. The results shows a dissolution of active cathode material in two steps, which leads to form a well-defined core-shell structure inducing an enrichment in manganese on the particles surface...
April 17, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29662998/engineering-crystalline-coooh-anchored-on-an-n-doped-carbon-support-as-a-durable-electrocatalyst-for-the-oxygen-reduction-reaction
#13
Liming Zeng, Xiangzhi Cui, Jianlin Shi
Finding highly active, low-cost and stable electro-catalysts for the oxygen reduction reaction is challenging but crucial for several applications such as fuel cells and metal batteries. Herein, we report a novel electro-catalyst of crystalline CoOOH anchored on an N-doped carbon support through a facile method, and we explore its origin of activity via investigating the correlation between the composition of the catalyst and its electrochemical properties. Nitrogen is successfully incorporated into a carbon support, and CoOOH is desirably anchored on a carbon matrix forming Co-N coordination sites in the catalyst, which is revealed to be responsible for the much enhanced oxygen reduction activity compared to the oxygen reduction activities of the electrocatalysts having either single-doped nitrogen or anchored CoOOH species in a carbon support...
April 17, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29662787/steroid-associated-osteonecrosis-animal-model-in-rats
#14
Li-Zhen Zheng, Jia-Li Wang, Ling Kong, Le Huang, Li Tian, Qian-Qian Pang, Xin-Luan Wang, Ling Qin
Objective: Established preclinical disease models are essential for not only studying aetiology and/or pathophysiology of the relevant diseases but more importantly also for testing prevention and/or treatment concept(s). The present study proposed and established a detailed induction and assessment protocol for a unique and cost-effective preclinical steroid-associated osteonecrosis (SAON) in rats with pulsed injections of lipopolysaccharide (LPS) and methylprednisolone (MPS). Methods: Sixteen 24-week-old male Sprague-Dawley rats were used to induce SAON by one intravenous injection of LPS (0...
April 2018: Journal of Orthopaedic Translation
https://www.readbyqxmd.com/read/29662781/the-effect-of-chinese-martial-arts-tai-chi-chuan-on-prevention-of-osteoporosis-a-systematic-review
#15
REVIEW
Tsz Ho Chow, Bo Yee Lee, Adrian Bing Fung Ang, Veronica Yi Ki Cheung, Michelle Man Ching Ho, Saori Takemura
Background/Objective: Tai Chi Chuan (TCC) is suggested to have beneficial effects on the musculoskeletal system. The aim of this systematic review is to evaluate the evidence of the effect of TCC on bone mineral density (BMD) and its potential for prevention of osteoporosis. Methods: A literature search was conducted using PubMed, Embase, and Cochrane databases from inception to January 2017. Randomized controlled studies, case-control trials, prospective cohort studies, and cross-sectional studies which evaluated the effect of TCC on BMD were selected without any subject or language restriction...
January 2018: Journal of Orthopaedic Translation
https://www.readbyqxmd.com/read/29662206/understanding-the-quantum-nature-of-low-energy-c-3-p-j-he-inelastic-collisions
#16
Astrid Bergeat, Simon Chefdeville, Michel Costes, Sébastien B Morales, Christian Naulin, Uzi Even, Jacek Kłos, François Lique
Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C(3 Pj=0 ) and helium atoms-at collision energies in the vicinity of spin-orbit excitation thresholds (~0...
April 16, 2018: Nature Chemistry
https://www.readbyqxmd.com/read/29662078/comparison-of-the-life-history-parameters-and-competition-outcome-with-moina-macrocopa-between-two-morphs-of-brachionus-forficula
#17
Ya-Li Ge, Tong Luo, Cui-Cui Ge, Rong Zhan, Jin-Hang Yu, Yi-Long Xi, Gen Zhang
In rotifers, the costs of morphological defenses, especially the development of long spines, have been investigated for several decades. However, the obtained results were inconsistent and the underlying reasons were complicated. Investigations on more species might be helpful to find out the reasons. In the present study, Brachionus forficula was selected as the model organism. The differences in developmental durations, life-table demography, starvation resistant time and the competitive ability with Moina macrocopa were compared between B...
April 16, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29662065/dripplons-as-localized-and-superfast-ripples-of-water-confined-between-graphene-sheets
#18
Hiroaki Yoshida, Vojtěch Kaiser, Benjamin Rotenberg, Lydéric Bocquet
Carbon materials have unveiled outstanding properties as membranes for water transport, both in 1D carbon nanotube and between 2D graphene layers. In the ultimate confinement, water properties however strongly deviate from the continuum, showing exotic properties with numerous counterparts in fields ranging from nanotribology to biology. Here, by means of molecular dynamics, we show a self-organized inhomogeneous structure of water confined between graphene sheets, whereby the very strong localization of water defeats the energy cost for bending the graphene sheets...
April 16, 2018: Nature Communications
https://www.readbyqxmd.com/read/29661997/implementation-of-safe-by-design-for-nanomaterial-development-and-safe-innovation-why-we-need-a-comprehensive-approach
#19
Annette Kraegeloh, Blanca Suarez-Merino, Teun Sluijters, Christian Micheletti
Manufactured nanomaterials (MNMs) are regarded as key components of innovations in various fields with high potential impact (e.g., energy generation and storage, electronics, photonics, diagnostics, theranostics, or drug delivery agents). Widespread use of MNMs raises concerns about their safety for humans and the environment, possibly limiting the impact of the nanotechnology-based innovation. The development of safe MNMs and nanoproducts has to result in a safe as well as functional material or product. Its safe use, and disposal at the end of its life cycle must be taken into account too...
April 14, 2018: Nanomaterials
https://www.readbyqxmd.com/read/29660977/remediation-of-petroleum-contaminated-soil-and-simultaneous-recovery-of-oil-by-fast-pyrolysis
#20
De-Chang Li, Wan-Fei Xu, Yang Mu, Han-Qing Yu, Hong Jiang, John C Crittenden
Petroleum-contaminated soil (PCS) caused by the accidental release of crude oil into the environment, which occurs frequently during oil exploitation worldwide, needs efficient and cost-effective remediation. In this study, a fast pyrolysis technology was implemented to remediate the PCS and concurrently recover the oil. The remediation effect related to pyrolytic parameters, the recovery rate of oil and its possible formation pathway, and the physicochemical properties of the remediated PCS and its suitability for planting were systematically investigated...
April 16, 2018: Environmental Science & Technology
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