Ultrasensitive ammonia (NH3) gas sensor: DFT Simulation-Directed Selection of High-Performance Metal-Doped Molybdenum Tri-oxide (α-MoO3) Nanoribbons for NH3 Detection

Author(s):  
Dongwook Kwak ◽  
Henry Sokol ◽  
Bryan P. Moser ◽  
Heejeong Ryu ◽  
Kristie J. Koski ◽  
...  
Author(s):  
Hang Ren ◽  
Junmo Zhang ◽  
Yanhong Tong ◽  
Mingxin Zhang ◽  
Xiaoli Zhao ◽  
...  

Solar RRL ◽  
2021 ◽  
pp. 2100450
Author(s):  
Bing-Huang Jiang ◽  
Yi-Peng Wang ◽  
Yu-Wei Su ◽  
Jia-Fu Chang ◽  
Chu-Chen Chueh ◽  
...  

Metals ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 46
Author(s):  
Nur Izzah Nabilah Haris ◽  
Shafreeza Sobri ◽  
Yus Aniza Yusof ◽  
Nur Kartinee Kassim

Molecular dynamics (MD) simulation is a powerful tool to study the molecular level working mechanism of corrosion inhibitors in mitigating corrosion. In the past decades, MD simulation has emerged as an instrument to investigate the interactions at the interface between the inhibitor molecule and the metal surface. Combined with experimental measurement, theoretical examination from MD simulation delivers useful information on the adsorption ability and orientation of the molecule on the surface. It relates the microscopic characteristics to the macroscopic properties which enables researchers to develop high performance inhibitors. Although there has been vast growth in the number of studies that use molecular dynamic evaluation, there is still lack of comprehensive review specifically for corrosion inhibition of organic inhibitors on ferrous metal in acidic solution. Much uncertainty still exists on the approaches and steps in performing MD simulation for corrosion system. This paper reviews the basic principle of MD simulation along with methods, selection of parameters, expected result such as adsorption energy, binding energy and inhibitor orientation, and recent publications in corrosion inhibition studies.


Author(s):  
Xu Zhou ◽  
Zi Wang ◽  
Ruxin Song ◽  
Yadan Zhang ◽  
Lunan Zhu ◽  
...  

A high performance organic ambipolar transistor-based gas sensor was constructed. It demonstrates dual response features and good selectivity.


RSC Advances ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 5618-5628
Author(s):  
Wenkai Jiang ◽  
Xinwei Chen ◽  
Tao Wang ◽  
Bolong Li ◽  
Min Zeng ◽  
...  

A high performance gas sensor based on a metal phthalocyanine/graphene quantum dot hybrid material was fabricated for NO2 detection at room-temperature.


2019 ◽  
Vol 19 (24) ◽  
pp. 11767-11774 ◽  
Author(s):  
Neha Sakhuja ◽  
Ravindra Kumar Jha ◽  
Navakanta Bhat

2016 ◽  
Vol 83 (4) ◽  
Author(s):  
Youlong Chen ◽  
Yong Zhu ◽  
Xi Chen ◽  
Yilun Liu

In this work, the compressive buckling of a nanowire partially bonded to an elastomeric substrate is studied via finite-element method (FEM) simulations and experiments. The buckling profile of the nanowire can be divided into three regimes, i.e., the in-plane buckling, the disordered buckling in the out-of-plane direction, and the helical buckling, depending on the constraint density between the nanowire and the substrate. The selection of the buckling mode depends on the ratio d/h, where d is the distance between adjacent constraint points and h is the helical buckling spacing of a perfectly bonded nanowire. For d/h > 0.5, buckling is in-plane with wavelength λ = 2d. For 0.27 < d/h < 0.5, buckling is disordered with irregular out-of-plane displacement. While, for d/h < 0.27, buckling is helical and the buckling spacing gradually approaches to the theoretical value of a perfectly bonded nanowire. Generally, the in-plane buckling induces smaller strain in the nanowire, but consumes the largest space. Whereas the helical mode induces moderate strain in the nanowire, but takes the smallest space. The study may shed useful insights on the design and optimization of high-performance stretchable electronics and three-dimensional complex nanostructures.


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