Results 21 to 30 of about 66,179 (347)

Synthesis and Characterization of Benzodithiophene (BDT) Quinoid Compounds as a Potential Compound for n-Type Organic Thin-Film Transistors (OTFT)

Jurnal Kimia Sains dan Aplikasi, 2020
Two potential compounds as an n-Type organic thin-film transistor (OTFT) from benzodithiophene (BDT) derivatives have been synthesized and characterized. BDT was chosen as the core because it has π-conjugated bonds, rigid structures, and planar.
Mokhamat Ariefin, Vety Sri Harlinda Ayudha   +1 more
doaj   +1 more source

Theoretical study of structural and electronic properties of poly(vinyl chloride) nanotube inclusions

Orbital: The Electronic Journal of Chemistry, 2012
The structural and electronic properties of inclusion or interconnection between NT and PVC were studied by quantum semiepirical approximation method using (PM3) self-consistent ?eld molecular orbital method.
Assad Kareen Edaan
doaj   +1 more source

Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO–LUMO Gap

The journal of physical chemistry. C, Nanomaterials and interfaces, 2022
In this article, we analyze the electronic structure modifications of triphenylamine (TPA), a well-known electron donor molecule widely used in photovoltaics and optoelectronics, upon deposition on Au(111) at a monolayer coverage.
Teng Zhang, P. Svensson, I. Brumboiu, V. Lanzilotto, C. Grazioli, A. Guarnaccio, F. Johansson, K. Beranová, M. Coreno, M. de Simone, L. Floreano, A. Cossaro, B. Brena, C. Puglia   +13 more
semanticscholar   +1 more source

Influence of Blasting Vibration of MLEMC Shaft Foundation Pit on Adjacent High-Rise Frame Structure: A Case Study

Energies, 2020
The construction of metro line energy management center (MLEMC) is one of the important parts of metro line, which is the key organization to realize the energy consumption management of the metro operation.
Nan Jiang, Yuqi Zhang, Chuanbo Zhou, Tingyao Wu, Bin Zhu   +4 more
doaj   +1 more source

Metal-Organic Framework Assembled on Oriented Nanofiber Arrays for Field-Effect Transistor and Gas Sensor-Based Applications

Molecules, 2022
Metal–organic framework (MOF) films are essential for numerous sensor and device applications. However, metal-organic framework materials have poor machinability due to their predominant powder-like nature, and their presence as the active layer in a ...
Jinlong Mu, Xing Zhong, Wei Dai, Xin Pei, Jian Sun, Junyuan Zhang, Wenjun Luo, Wei Zhou   +7 more
doaj   +1 more source

Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies

Heliyon, 2020
Extensive quantum chemical calculation have been carried out to investigate the Fourier Transform Infrared(FT-IR), Fourier Transform Raman(FT-RAMAN) and Nuclear magnetic resonance(NMR), and Ultra Violet-Visible(UV-vis) spectra of 2-(4-Cyanophenylamino ...
M. Rahuman, S. Muthu, B. Raajaraman, M. Raja, H. Umamahesvari   +4 more
semanticscholar   +1 more source

An Analysis of the Work Resumption in China under the COVID-19 Epidemic Based on Night Time Lights Data

ISPRS International Journal of Geo-Information, 2021
Public emergencies often have an impact on the production and operation of enterprises. Timely and effective quantitative measurement of enterprises’ offline resumption of work after public emergencies is conducive to the formulation and implementation ...
Suzheng Tian, Ruyi Feng, Ji Zhao, Lizhe Wang   +3 more
doaj   +1 more source

Constructing 3D geological models based on large-scale geological maps

Open Geosciences, 2021
The construction of 3D geological models based on geological maps is a subject worthy of study. The construction of geological interfaces is the key process of 3D geological modeling.
Wu Xuechao, Liu Gang, Weng Zhengping, Tian Yiping, Zhang Zhiting, Li Yang, Chen Genshen   +6 more
doaj   +1 more source

Investigating the Shallow-Water Bathymetric Capability of Zhuhai-1 Spaceborne Hyperspectral Images Based on ICESat-2 Data and Empirical Approaches: A Case Study in the South China Sea

Remote Sensing, 2022
Accurate bathymetric and topographical information is crucial for coastal and marine applications. In the past decades, owing to its low cost and high efficiency, satellite-derived bathymetry has been widely used to estimate the depth of shallow water in
Yuan Le, Mengzhi Hu, Yifu Chen, Qian Yan, Dongfang Zhang, Shuai Li, Xiaohan Zhang, Lizhe Wang   +7 more
doaj   +1 more source

HOMO–LUMO Gaps and Molecular Structures of Polycyclic Aromatic Hydrocarbons in Soot Formation

Frontiers of Mechanical Engineering, 2021
A large number of PAH molecules is collected from recent literature. The HOMO-LUMO gap value of PAHs was computed at the level of B3LYP/6-311+G (d,p). The gap values lie in the range of 0.64–6.59 eV.
Yabei Xu, Qingzhao Chu, Dongping Chen, A. Fuentes   +3 more
semanticscholar   +1 more source