Experimental and first-principle computational exploration on biomass cellulose/magnesium hydroxide composite: Local structure, interfacial interaction and antibacterial property

2021 ◽  
Vol 191 ◽  
pp. 584-590
Author(s):  
Xin-Yu Wang ◽  
Jing-Heng Nie ◽  
Nian-Dan Zhao ◽  
Yu-Chang Hou ◽  
Yuan-Ru Guo ◽  
...  
Keyword(s):  
Magnesium Hydroxide ◽  
Local Structure ◽  
Antibacterial Property ◽  
Interfacial Interaction ◽  
First Principle ◽  
Computational Exploration

Electrocatalytically Switchable CO2Capture: First Principle Computational Exploration of Carbon Nanotubes with Pyridinic Nitrogen

ChemSusChem ◽  
2014 ◽  
Vol 7 (2) ◽  
pp. 435-441 ◽  
Author(s):  
Yan Jiao ◽  
Yao Zheng ◽  
Sean C. Smith ◽  
Aijun Du ◽  
Zhonghua Zhu
Keyword(s):  
Carbon Nanotubes ◽  
First Principle ◽  
Computational Exploration ◽  
Pyridinic Nitrogen

First principle study on interfacial interaction of black phosphorus and CsBr vdW heterostructure

2020 ◽  
Vol 384 (25) ◽  
pp. 126614 ◽  
Author(s):  
Mengli Yao ◽  
Tian Wu ◽  
Biao Liu ◽  
Jialin Li ◽  
Mengqiu Long
Keyword(s):  
Interfacial Interaction ◽  
Black Phosphorus ◽  
First Principle ◽  
Vdw Heterostructure

scholarly journals Electrocatalytically Switchable CO2Capture: First Principle Computational Exploration of Carbon Nanotubes with Pyridinic Nitrogen

ChemSusChem ◽  
2014 ◽  
Vol 7 (2) ◽  
pp. 317-317
Author(s):  
Yan Jiao ◽  
Yao Zheng ◽  
Sean C. Smith ◽  
Aijun Du ◽  
Zhonghua Zhu
Keyword(s):  
Carbon Nanotubes ◽  
First Principle ◽  
Computational Exploration ◽  
Pyridinic Nitrogen

X-ray microprobe for materials science

1994 ◽  
Vol 52 ◽  
pp. 56-57
Author(s):  
G.E. Ice
Keyword(s):  
Crystallographic Orientation ◽  
Local Structure ◽  
Materials Science ◽  
Chemical Information ◽  
X Ray Diffraction ◽  
Ray Optics ◽  
X Ray ◽  
Novel Materials ◽  
New Information ◽  
Elemental Sensitivity

The increasing availability of synchrotron x-ray sources has stimulated the development of advanced hard x-ray (E≥5 keV) microprobes. With new x-ray optics these microprobes can achieve micron and submicron spatial resolutions. The inherent elemental and crystallographic sensitivity of an x-ray microprobe and its inherently nondestructive and penetrating nature will have important applications to materials science. For example, x-ray fluorescent microanalysis of materials can reveal elemental distributions with greater sensitivity than alternative nondestructive probes. In materials, segregation and nonuniform distributions are the rule rather than the exception. Common interfaces to whichsegregation occurs are surfaces, grain and precipitate boundaries, dislocations, and surfaces formed by defects such as vacancy and interstitial configurations. In addition to chemical information, an x-ray diffraction microprobe can reveal the local structure of a material by detecting its phase, crystallographic orientation and strain.Demonstration experiments have already exploited the penetrating nature of an x-ray microprobe and its inherent elemental sensitivity to provide new information about elemental distributions in novel materials.

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