20 Result(s)
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Article
Rui-Qin Zhang
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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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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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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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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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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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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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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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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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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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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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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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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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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...
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Open AccessRectifying Properties of Oligo(Phenylene Ethynylene) Heterometallic Molecular Junctions: Molecular Length and Side Group Effects
The rectifying properties of α,ω-dithiol terminated oligo(phenylene ethynylene) molecules sandwiched between heterometallic electrodes, including the molecular length and side group effects, are theoretically ...
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Excited State Relaxation and Stabilization of Hydrogen Terminated Silicon Quantum Dots
Silicon is the leading semiconductor material in microelectronic industry. Owing to the large surface to volume ratio, low-dimensional Si nanostructures, for instance, silicon quantum dots exhibit diverse elec...
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Open AccessSurvey of structural and electronic properties of C60 on close-packed metal surfaces
The adsorption of buckminsterfullerene (C60) on metal surfaces has been investigated extensively for its unique geometric and electronic properties. The two-dimensional systems formed on surfaces allow studying i...
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Superconductivity in Hydrogen-rich Material: GeH4
The electronic properties, lattice dynamics, and electron–phonon coupling of the Cmmm phase of GeH4 have been studied by first-principle calculations using density functional perturbation theory. The electronic b...
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The promotion of clean development mechanism to cement industry capturing waste heat for power generation in China
The clean development mechanism (CDM), one of three flexible mechanisms of the Kyoto Protocol, has received noticeable attention in cement industry in china. In this paper we will discuss in past the utilizati...
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Clinical observation on Chinese and western integrative medicine in treating repeatedly recurrent chronic pyelonephritis
Objective: To explore the clinical efficacy of Chinese and western integrative medicine (TCM-WM) in treating repeatedly recurrent chronic pyelonephritis (CPN) and its therapeutic mechanism.Method...
