scholarly journals A predictive modeling study of the impact of chemical doping on the strength of a Ag/ZnO interface

2018 ◽  
Vol 124 (23) ◽  
pp. 235304
Author(s):  
Tianwei Wang ◽  
Paul D. Bristowe
Keyword(s):  
Predictive Modeling ◽  
Chemical Doping ◽  
The Impact ◽  
Modeling Study

Topic-a cluster of relevant messages-propagation dynamics: A modeling study of the impact of user repeated forwarding behaviors

2021 ◽  
pp. 107819
Author(s):  
Fulian Yin ◽  
Zhaoliang Wu ◽  
Xueying Shao ◽  
Xinyi Tang ◽  
Tongyu Liang ◽  
...  
Keyword(s):  
Propagation Dynamics ◽  
The Impact ◽  
Modeling Study

scholarly journals A modeling study exploring the impact of homelessness on rostered primary care utilization in Calgary, Canada

2018 ◽  
Vol 109 (4) ◽  
pp. 451-458
Author(s):  
Laura A. Rivera ◽  
Matthew T. Henschke ◽  
Edwin Khoo ◽  
Stanley Ing ◽  
Sandy J. Bae ◽  
...  
Keyword(s):  
Primary Care ◽  
Care Utilization ◽  
Primary Care Utilization ◽  
The Impact ◽  
Modeling Study

scholarly journals A Modeling Study of the Impact of Crop Residue Burning on PM2.5 Concentration in Beijing and Tianjin during a Severe Autumn Haze Event

2018 ◽  
Vol 18 (7) ◽  
pp. 1558-1572 ◽  
Author(s):  
Yike Zhou ◽  
Zhiwei Han ◽  
Ruiting Liu ◽  
Bin Zhu ◽  
Jiawei Li ◽  
...  
Keyword(s):  
Crop Residue ◽  
Haze Event ◽  
Crop Residue Burning ◽  
The Impact ◽  
Pm2.5 Concentration ◽  
Modeling Study

First-principles study of the impact of chemical doping and functional groups on the absorption spectra of graphene

2021 ◽  
Author(s):  
Iyyappa Rajan Panneerselvam ◽  
Pranay Chakraborty ◽  
qiong nian ◽  
Yongfeng Lu ◽  
Yiliang Liao ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
Silicon Germanium ◽  
Rational Design ◽  
Dielectric Constants ◽  
Flat Band ◽  
Chemical Doping ◽  
Optical Processing ◽  
Electronic Band ◽  
The Impact

Abstract The rational design of the electronic band structures and the associated properties (e.g., optical) of advanced materials has remained challenging for crucial applications in optoelectronics, solar desalination, advanced manufacturing technologies, etc. In this work, using first-principles calculations, we studied the prospects of tuning the absorption spectra of graphene via defect engineering, i.e., chemical doping and oxidation. Our computational analysis shows that graphene functionalization with single hydroxyl and carboxylic acid fails to open a band gap in graphene. While single epoxide functionalization successfully opens a bandgap in graphene and increases absorptivity, however, other optical properties such as reflection, transmission, and dielectric constants are significantly altered. Boron and nitrogen dopants lead to p- and n-type doping, respectively, while fluorine dopants or a single-carbon atomic vacancy cannot create a significant bandgap in graphene. By rigorously considering the spin-polarization effect, we find that titanium, zirconium, and hafnium dopants can create a bandgap in graphene via an induced flat band around the Fermi level as well as the collapse of the Dirac cone. In addition, silicon, germanium, and tin dopants are also effective in improving the optical characteristics. Our work is important for future experimental work on graphene for laser and optical processing applications.

Modeling Study of the Impact of Blending N2, CO2, and H2O on Characteristics of CH4 Laminar Premixed Combustion

2019 ◽  
Vol 34 (2) ◽  
pp. 1184-1192 ◽  
Author(s):  
Fei Ren ◽  
Longkai Xiang ◽  
Huaqiang Chu ◽  
Hantao Jiang ◽  
Yuchen Ya
Keyword(s):  
Premixed Combustion ◽  
The Impact ◽  
Modeling Study

scholarly journals Optimizing the impact of medications for opioid use disorder at release from prison and jail settings: A microsimulation modeling study

2020 ◽  
pp. 102841
Author(s):  
Alexandria Macmadu ◽  
Joëlla W. Adams ◽  
S.E. Bessey ◽  
Lauren Brinkley-Rubinstein ◽  
Rosemarie A. Martin ◽  
...  
Keyword(s):  
Opioid Use Disorder ◽  
Opioid Use ◽  
Microsimulation Modeling ◽  
The Impact ◽  
Modeling Study ◽  
Release From Prison

Modeling study of the impact of complex terrain on the surface energy and hydrology over the Tibetan Plateau

2019 ◽  
Vol 53 (11) ◽  
pp. 6919-6932 ◽  
Author(s):  
Xuehua Fan ◽  
Yu Gu ◽  
Kuo-Nan Liou ◽  
Wei-Liang Lee ◽  
Bin Zhao ◽  
...  
Keyword(s):  
Tibetan Plateau ◽  
Surface Energy ◽  
Complex Terrain ◽  
The Tibetan Plateau ◽  
The Impact ◽  
Modeling Study
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