Design and evaluation of Cu-modified ZnO microspheres as a high performance formaldehyde sensor based on density functional theory

2020 ◽  
Vol 532 ◽  
pp. 147446
Author(s):  
Yan Chen ◽  
Yong Zhang ◽  
Hongyan Zhang ◽  
Chu Chen
Keyword(s):  
Density Functional Theory ◽  
High Performance ◽  
Density Functional ◽  
Functional Theory

Experimental and density functional theory investigation of Pt-loaded titanium dioxide/molybdenum disulfide nanohybrid for SO2 gas sensing

2019 ◽  
Vol 43 (12) ◽  
pp. 4900-4907 ◽  
Author(s):  
Dongzhi Zhang ◽  
Maosong Pang ◽  
Junfeng Wu ◽  
Yuhua Cao
Keyword(s):  
Density Functional Theory ◽  
Titanium Dioxide ◽  
Molybdenum Disulfide ◽  
Self Assembly ◽  
High Performance ◽  
Density Functional ◽  
Gas Sensing ◽  
Layer By Layer ◽  
Functional Theory ◽  
So2 Gas

A high-performance sulfur dioxide sensor based on a platinum-loaded titanium dioxide/molybdenum disulfide ternary nanocomposite is synthesized via layer-by-layer self-assembly.

High-performance III–VI monolayer transistors for flexible devices

2020 ◽  
Vol 22 (13) ◽  
pp. 7039-7047 ◽  
Author(s):  
Jianhui Chen ◽  
Shuchang Cai ◽  
Rui Xiong ◽  
Baisheng Sa ◽  
Cuilian Wen ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Density Functional Theory ◽  
Quantum Transport ◽  
High Performance ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Device Performance ◽  
Functional Theory ◽  
Group Iii ◽  
Flexible Devices

The mechanical properties of group III–VI monolayers and sub-10 nm scale device performance of corresponding MOSFETs have been investigated by using density functional theory calculations as well as ab initio quantum transport simulations.

scholarly journals MC2 (M = Y, Zr, Nb, and Mo) Monolayers Containing C2 Dimers: Prediction of Anode Materials for High-performance Sodium Ion Batteries

2021 ◽  
Author(s):  
Zhanzhe Xu ◽  
Xiaodong Lv ◽  
Wenyue Gu ◽  
Fengyu Li
Keyword(s):  
Density Functional Theory ◽  
Energy Storage ◽  
Anode Materials ◽  
High Performance ◽  
Density Functional ◽  
Sodium Ion ◽  
Sodium Ion Batteries ◽  
Energy Storage Devices ◽  
Functional Theory ◽  
Storage Devices

Seeking novel anode materials with high performance for sodium ion batteries (SIBs) is an attractive theme in developing energy storage devices. In this work, by means of density functional theory...

scholarly journals Remarkable charge-transfer mobility from [6] to [10]phenacene as a high performance p-type organic semiconductor

2018 ◽  
Vol 20 (13) ◽  
pp. 8658-8667 ◽  
Author(s):  
Thao P. Nguyen ◽  
P. Roy ◽  
Ji Hoon Shim
Keyword(s):  
Density Functional Theory ◽  
Charge Transfer ◽  
Organic Semiconductors ◽  
High Performance ◽  
Density Functional ◽  
Dft Calculation ◽  
High Efficiency ◽  
Electronic Devices ◽  
Functional Theory ◽  
P Type

A density functional theory (DFT) calculation predicts phenacene as one of the most promising organic semiconductors for high efficiency electronic devices.

Novel high-performance anodic materials for lithium ion batteries: Two-dimensional alloying monolayers Sn-X (X=C, Si, Ge)

2021 ◽  
Author(s):  
Pengfei Zhu ◽  
Yunxiao Zu ◽  
Yue Kuai ◽  
shuli Gao ◽  
Ge Wu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Lithium Ion Batteries ◽  
First Principles ◽  
High Performance ◽  
Density Functional ◽  
Density Functional Theory Method ◽  
Lithium Ion ◽  
Theory Method ◽  
Two Dimensional ◽  
Functional Theory

Lithium-ion batteries (LIBs) have always been the focus of energy storage. Here, first-principles density functional theory method was used to explore the possibility of using stanene derived structure as LIBs...

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