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Huan jing ke xue= Huanjing kexue, ISSN 0250-3301, 11/2019, Volume 40, Issue 11, p. 4914
To study the pollution characteristics and ecological risks of heavy metals in the western area of the Wangyu River, water and surface sediment samples of five... 
Water Pollutants, Chemical | Geologic Sediments | Environmental Monitoring | Risk Assessment | China | Metals, Heavy | Rivers
Journal Article
Desalination and Water Treatment, ISSN 1944-3994, 09/2016, Volume 57, Issue 44, pp. 20970 - 20984
Journal Article
Resources and Environment in the Yangtze Basin, ISSN 1004-8227, 01/2014, Volume 23, Issue 7, pp. 993 - 998
There are many rivers and lakes in China, which are widely distributed with abundant water quantity. They are the important drinking water sources for nearby... 
Journal Article
physica status solidi (b), ISSN 0370-1972, 10/2016, Volume 253, Issue 10, pp. 1941 - 1946
Journal Article
ISSN 1463-9076, 9/2019, Volume 21, Issue 37, pp. 2149 - 2156
In this work, we studied the adsorption and catalytic dehydrogenation of formic acid (HCOOH) on Pt(111) surface using different van der Waals inclusive density... 
Journal Article
Journal of Materials Chemistry A, ISSN 2050-7488, 2018, Volume 6, Issue 17, pp. 7807 - 7814
Lithium–iodine (Li–I2) batteries are considered a competitive candidate for next-generation electrochemical energy storage devices. The high solubility of I2... 
Computer simulation | Molecular dynamics | Lithium | Batteries | Substrates | Storage batteries | Molecular chains | Anodic protection | Anode effect | Corrosion effects | Electrochemistry | Diffusion | Protective coatings | Iodine | Energy storage
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 8/2018, Volume 2, Issue 34, pp. 22351 - 22358
Our previous study ( J. Mater. Chem. A , 2018, 6 , 3171-3180) theoretically predicted that a scandium oxide (ScO 2 ) monolayer can deliver high specific... 
Lithium-ion batteries | Electric potential | Electrode materials | Scandium oxides | Flux density | Predictions | Lithium | Discharge | Substrates | Cathodes | Rechargeable batteries
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 4/2019, Volume 21, Issue 14, pp. 7272 - 728
We investigate the shock response of Ni + Al reactive nanoparticle systems through molecular dynamics simulations. The powder configurations with varying... 
Computer simulation | Coordination numbers | Deformation mechanisms | Stacking | Aluminum | Molecular dynamics | Chemical reactions | Plastic deformation | Density | Nanoparticles | Organic chemistry | Shock waves | Zincblende | Dependence | Shock loading | Nickel | Configurations | Crystal structure
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 07/2019, Volume 126, Issue 4
The interaction of plasticity and martensitic transformation in iron bicrystals under shock has been investigated via nonequilibrium molecular-dynamic... 
Grain boundaries | Nucleation | Bicrystals | Computer simulation | Martensitic transformations | Molecular dynamics | Embedded atom method | Plastic properties | Iron | Phase transitions | Potential barriers | Dislocations
Journal Article
Physica B: Condensed Matter, ISSN 0921-4526, 09/2013, Volume 425, pp. 90 - 94
Two approaches to calculating Gibbs free energy of nanoparticle are compared. It is found that the contribution from the vibrational entropy of surface atoms... 
Stresses | Gibbs free energy | Nanocomposites | Condensed matter | Mathematical analysis | Nanomaterials | Nanostructure | Entropy
Journal Article
Electrochimica Acta, ISSN 0013-4686, 05/2019, Volume 306, p. 366
LiCl--KCl eutectic material is a crucial waste reprocessing candidate for use in molten salt reactors and the major component of spent nuclear fuel.... 
Nuclear industry | Thermodynamics | Nuclear energy | Spent reactor fuels | Electrical conductivity | Analysis | Molecular dynamics | Polymerization | Electric properties
Journal Article
physica status solidi (b), ISSN 0370-1972, 10/2016, Volume 253, Issue 10, pp. 1941 - 1946
The nucleation and growth processes of lithium nanoparticles are simulated by molecular dynamics and embedded atom method. A critical temperature dividing,... 
nucleation | solid–liquid interfaces | growth | nanoparticles | molecular dynamics | PHYSICS, CONDENSED MATTER | solid-liquid interfaces | SIMULATIONS | Nanoparticles | Molecular dynamics | Chemical properties | Nucleation | Interfacial energy | Simulation | Solid state physics | Lithium | Nuclei
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 12/2018, Volume 122, Issue 50, pp. 28518 - 28527
Metallic anodes in Li/Na–X (X = S, Se, I2) batteries, in which the working mechanism is a conversion reaction, suffer severe corrosion and self-discharge... 
Journal Article
ISSN 2050-7488, 8/2019, Volume 7, Issue 34, pp. 1995 - 1996
Recently, the first lithium-nitrogen (Li-N 2 ) battery was designed, achieving a reversible electrochemical reaction between N 2 and Li 3 N under ambient... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 27, pp. 17607 - 17617
Molecular dynamics (MD) simulations are used to investigate the shock-compression response of Ni + Al spherical nanoparticles arranged in a NaCl-like... 
Journal Article
Journal of Materials Chemistry. A, Materials for Energy and Sustainability, ISSN 2050-7488, 01/2019, Volume 7, Issue 34, pp. 19950 - 19960
Recently, the first lithium–nitrogen (Li–N2) battery was designed, achieving a reversible electrochemical reaction between N2 and Li3N under ambient conditions... 
Nitrogenation | Electron transfer | Lithium | Batteries | Nitrogen | Discharge | Substrates | Fixation | Nitrogen fixation | Electrochemistry | Cloth | Performance enhancement | Cathodes
Journal Article
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