Results 11 to 20 of about 96,682 (290)

New Small Compounds Based on Thienylenevinylene with D-A-D Structure for BHJ Applications: Theoretical Study

Orbital: The Electronic Journal of Chemistry, 2020
In this work, ten new small molecules based on Thienylenevinylene as a donor and heterocyclic group A as acceptor of electrons with the donor-acceptor-donor D-A-D structure were studied by density functional theory (DFT) and time-dependent DFT (TDDFT ...
El Alamy Aziz, Bourass Mohammed, Amine Amina, Kcimi Rachid, Bouachrine Mohammed   +4 more
doaj   +1 more source

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

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

Resonant Lifetime of Core-Excited Organic Adsorbates from First Principles [PDF]

, 2014
We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110).
Achilli S., Achilli S., Arntz F., Bates S. P., Batra A., Brandbyge M., Brivio G. P., Brivio G. P., Bronner C., Brühwiler P. A., Carlo Motta, Chambers S., Chulkov E. V., Daniel Sánchez-Portal, De Angelis F., De Angelis F., Duncan W. R., Fukui K., Fölisch A., Gian Paolo Brivio, Grätzel M., Guido Fratesi, Hannappel T., Hardin B. E., Hill I. G., Häming M., Inglesfield J. E., Ino D., Junquera J., Kim Y.-H., Kondov I., Kong L., Labat F., Le Bahers T., Listorti A., Mario Italo Trioni, Martsinovich N., Martsinovich N., Mauri F., Menzel D., Nitzan A., Onida G., Palacios J. J., Perdew J. P., Persson P., Persson P., Prendergast D., Rocha A. R., Rudolf P., Schnadt J., Schnadt J., Schnadt J., Soler J. M., Stier W., Sánchez-Portal D., Sánchez-Portal D., Triguero L., Trioni M. I., Umari P., Wurth W.   +59 more
core   +2 more sources

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

Symmetry-selected spin-split hybrid states in C$_{60}$/ferromagnetic interfaces [PDF]

, 2016
The understanding of orbital hybridization and spin-polarization at the organic-ferromagnetic interface is essential in the search for efficient hybrid spintronic devices.
Barreteau, Cyrille, Chacon, Cyril, Girard, Yann, Kawahara, Seiji Leo, Lagoute, Jérôme, Li, Dongzhe, Repain, Vincent, Rousset, Sylvie, Smogunov, Alexander   +8 more
core   +4 more sources

Non-Empirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases [PDF]

, 2012
Using a non-empirically tuned range-separated DFT approach, we study both the quasiparticle properties (HOMO-LUMO fundamental gaps) and excitation energies of DNA and RNA nucleobases (adenine, thymine, cytosine, guanine, and uracil).
Foster, Michael E., Wong, Bryan M.
core   +2 more sources

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