High-efficiency helium separation through an inorganic graphenylene membrane: a theoretical study

2020 ◽  
Vol 22 (17) ◽  
pp. 9789-9795 ◽  
Author(s):  
Lu Wang ◽  
Feng Li ◽  
Junru Wang ◽  
Yixiang Li ◽  
Weifeng Li ◽  
...  
Keyword(s):  
High Efficiency ◽  
Theoretical Study

Appropriate interactions between an IGP membrane and He molecules result in efficient helium separation.

scholarly journals A Theoretical Study on the Novel Structure of Vane Compressor for High Efficiency

2019 ◽  
Vol 604 ◽  
pp. 012067
Author(s):  
Y S Hu ◽  
H J Wei ◽  
J Xu ◽  
P K Wan ◽  
F Wu ◽  
...  
Keyword(s):  
High Efficiency ◽  
Theoretical Study ◽  
The Novel ◽  
Novel Structure

scholarly journals Tungsten-Embedded Graphene: Theoretical Study on a Potential High-Activity Catalyst toward CO Oxidation

Materials ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 1848 ◽  
Author(s):  
Guoliang Dai ◽  
Lei Chen ◽  
Xin Zhao
Keyword(s):  
Co Oxidation ◽  
Density Functional ◽  
High Efficiency ◽  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Oxidation Of Co ◽  
Tungsten Atom ◽  
Functional Theory ◽  
Toxic Gases ◽  
Activity Catalyst

The oxidation mechanism of CO on W-embedded graphene was investigated by M06-2X density functional theory. Two models of tungsten atom embedded in single and double vacancy (W-SV and W-DV) graphene sheets were considered. It was found that over W-SV-graphene and W-DV-graphene, the oxidation of CO prefers to Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanism, respectively. The two surfaces exhibit different catalytic activity during different reaction stages. The present results imply that W-embedded graphene is a promising catalyst for CO oxidation, which provides a useful reference for the design of a high-efficiency catalyst in detecting and removing of toxic gases.

Modified Fullerenes as an Acceptor in Bulk Heterojunction Organic Solar Cell – A Theoretical study

2021 ◽  
Author(s):  
Krishnan Sangameswaran ◽  
Kittusamy Senthilkumar
Keyword(s):  
Electronic Structure ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
High Efficiency ◽  
Theoretical Study ◽  
Bulk Heterojunction ◽  
Electronic Structure Calculations ◽  
Fullerene Derivatives ◽  
Donor Acceptor ◽  
Structure Calculations

In the present study the electronic structure calculations were used to provide the designing strategies for P3HT-fullerene derivatives based donor-acceptor materials for high efficiency Bulk Heterojunction Organic Solar Cells (BHJ...

Simulation of Accordion Effect of I-Girder with Corrugated Steel Webs

2013 ◽  
Vol 284-287 ◽  
pp. 1416-1420
Author(s):  
Hee Jung Ko ◽  
Ji Ho Moon ◽  
Hak Eun Lee
Keyword(s):  
Axial Load ◽  
High Efficiency ◽  
Theoretical Study ◽  
Steel Plate ◽  
Axial Stiffness ◽  
Repeated Loading ◽  
Box Girder ◽  
Accordion Effect ◽  
Analytical Simulation ◽  
Unique Effect

The axial stiffness of the corrugated steel plate is negligible by nature of unique geometric characteristics of the plate called as the accordion effect. This unique effect results in high efficiency on post-tensioning. Thus, corrugated steel plate is very suitable for a web of PC-box girder. Recent researches show that strain and stress in sub-panel of corrugated steel webs, that are induced by local bending of the sub-panel, exist even if the axial stiffness is negligible. These strain and stress in sub-panel are important since it might cause fatigue failure of the structure under repeated loading. This study presents the analytical simulation of the accordion effect of the I-girder with corrugated steel webs under pure axial load or bending including the effect of local bending of sub-panel of the corrugated steel webs. Theoretical study and numerical results were combined to develop the simplified equation to evaluate the accordion effect including the effect of local bending of the sub-panel.

Theoretical study on dithieno[3,2-b:2′,3′-d]phosphole derivatives: high-efficiency blue-emitting materials with ambipolar semiconductor behavior

2010 ◽  
Vol 127 (4) ◽  
pp. 419-427 ◽  
Author(s):  
Jie Wu ◽  
Shuixing Wu ◽  
Yun Geng ◽  
Guochun Yang ◽  
Shabbir Muhammad ◽  
...  
Keyword(s):  
High Efficiency ◽  
Theoretical Study ◽  
Semiconductor Behavior
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