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Article
Exploration of sequential mechanochemical activation and complexation leaching for enhanced recovery of valuable metals from spent lithium-ion batteries
An efficient sequential mechanochemical activation and complexation leaching for enhanced recovery of valuable metals from spent lithium-ion batteries was explored. The cathode material of lithium cobalt oxide...
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Article
Open AccessTheoretical study of metal-free catalytic for catalyzing CO-oxidation with a synergistic effect on P and N co-doped graphene
P and N co-doped graphene (PNxCy-G with x = 1, 2, 3 and y = 0, 1, 2) is designed to enhance graphene reactivity with a synergistic effect of the P and N atoms for the CO oxidation reaction, focusing on the influe...
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Article
Open AccessEpidemiological survey of adult female stress urinary incontinence
The prevalence of stress urinary incontinence (SUI) in adult female in Taiyuan and what are the related risk factors are not clear. The aim of this study was to provide a basis for exploring the prevention and...
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Article
Correction to: Enhanced Biosynthesis of Furoic Acid via the Effective Pretreatment of Corncob into Furfural in the Biphasic Media
An error appeared in our paper entitled “Enhanced Biosynthesis of Furoic Acid via the Effective Pretreatment of Corncob into Furfural in the Biphasic Media” published in Catalysis Letters. Unfortunately, there...
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Article
Enhanced Biosynthesis of Furoic Acid via the Effective Pretreatment of Corncob into Furfural in the Biphasic Media
Aiming to develop an effective catalytic process for utilizing biomass, conversion of corncob into furfural was firstly performed using tin-loaded bentonite (Sn-BTN) as solid acid catalyst. Corncob was pretrea...
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Phonon Thermal Transport in Silicon Nanowires and Its Surface Effects
Understanding thermal transport in silicon has practical and academic importance given the modern electronic and thermoelectric applications of these materials. Adjustment of the of SiNWs through has b...
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Summary and Concluding Remarks
Thermal transport in silicon-based nanomaterials has become a hot topic in the research community recently because it is one of the fundamental scientific problems in material physics and has enormous practica...
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Introduction
Silicon is the most important element in the modern semiconductor industry. The shrinkage of the dimensions of nanomaterials is expected to result in new fascinating properties related to size and quantum effe...
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Thermal Stability and Phonon Thermal Transport in Spherical Silicon Nanoclusters
/nanoparticles have attracted increasing attention in innovative technology due to their unique properties, which differ from those of bulk materials. Structural and thermodynamic properties of nanoclusters ...
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Theoretical and Experimental Methods for Determining the Thermal Conductivity of Nanostructures
thermal transport in low-dimensional materials has recently attracted considerable attention because of their potential applications in energy harvesting and generation and . Significant progress has been ...
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Phonon Thermal Transport in Silicene and Its Defect Effects
is emerging as a graphene like two-dimensional silicon material with very attractive electronic and thermal properties for a wide range of applications in nanoelectronics and thermoelectrics, and thus has a...
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Article
DFT study of benzyl alcohol/TiO2 interfacial surface complex: reaction pathway and mechanism of visible light absorption
We propose a new pathway for the adsorption of benzyl alcohol on the surface of TiO2 and the formation of interfacial surface complex (ISC). The reaction free energies and reaction kinetics were thoroughly invest...
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Article
Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag12 (M = V−, Nb−, Ta−, Cr, Mo, W, Mn+, Tc+, Re+)
Using density functional theory, this work presents a comprehensive analysis of nonresonant surface-enhanced Raman scattering enhancement of pyridine on M@Ag12 (M = V−, Nb−, Ta−, Cr, Mo, W, Mn+, Tc+, Re+). Comput...
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Article
Structural Asymmetry-Facilitated Tunability of Spin Distribution in the (10, 0) Carbon Nanotube Induced by Charging
Constructing the asymmetric electronic structure of low-dimensional carbon nanomaterials is significant for application of molecular devices, such as magnetic switches. In this work, we use density functional ...
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Article
Open AccessCorrection: Corrigendum: Molecular orbital analysis of the hydrogen bonded water dimer
Scientific Reports 6: Artcile number: 22099; Published online: 24 February 2016; Updated: 08 July 2016 In this Article, there is an error in Figure 4a. The sign of “E (kcal/mol)” was inverted for the leftmost ...
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Article
Open AccessStrong orbital interaction in a weak CH-π hydrogen bonding system
For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculati...
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Article
Open AccessMolecular orbital analysis of the hydrogen bonded water dimer
As an essential interaction in nature, hydrogen bonding plays a crucial role in many material formations and biological processes, requiring deeper understanding. Here, using density functional theory and post...
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Article
Water Clusters on Graphitic Carbon Surfaces
In this review, we outline our computational efforts in understanding the interactions between water and various graphitic carbon surfaces based on quantum-mechanical level calculations. Among them, we have de...
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Preface
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Article
PAHs in PM2.5 in Zhengzhou: concentration, carcinogenic risk analysis, and source apportionment
Ambient air samples were collected at two different locations between 2011 and 2012 in Zhengzhou, China in order to assess the concentration level, health risks, as well as the sources of polycyclic aromatic h...
