Superlattices and Microstructures

Data consists of: - Perovskite layer thickness optimization - Saturation current investigation - Radiative recombination rate modulation impacts - Work function analysis - conduction and valence band offset impact calculations - Defect density modulation impacts

Data includes: - Perovskite layer thickness optimization - Saturation current calculations and results - Radiative recombination rate modulation and results - Work function optimization - conduction and valence band offset calculations - Defect density modulation

this data consists of two files. the SW_Graphene.dat file is an input file for OpenMX material software package. the .py is the python program to generate and simulate the defected nanoribbon. this file can be edited to generate a desired defected GNR with four possible different distribution. in case of ambiguity please contact the author. it should be noted that SciPy, NumPy, and Kwant python packages are needed to run the python file.

Extracted acceptor-like states gA(E) of TFTs with a-IGZO channel films deposited at various deposition pressures.

Theoretical study of the anti-human immuno-deficiency virus TIBO molecule confined into carbon nanotubes Y Belmiloud, M Ouraghi, M Brahimi, A Benaboura, D Charqaoui, ... Journal of Computational and Theoretical Nanoscience 9 (8), 1101-1108 15 2012 QSAR studies of HEPT derivatives using support vector machines R Darnag, A Schmitzer, Y Belmiloud, D Villemin, A Jarid, A Chait, ... Molecular Informatics 28 (6‐7), 709-718 13 2009 Controlling drug efficiency by encapsulation into carbon nanotubes: A theoretical study of the antitumor Cisplatin and the anti-HIV TIBO molecules R Bessrour, Y Belmiloud, Z Hosni, B Tangour AIP Conference Proceedings 1456 (1), 229-239 12 2012 Hartree-Fock, Post Hartree-Fock and density functional theory studies on structure and conformational stability of N-Methylen-Formamide (NMF) and substituted com... M Brahimi, Y Belmiloud, D Kheffache Journal of Molecular Structure: THEOCHEM 759 (1-3), 1-10 7 2006 First principles calculations of a H2 molecule inside boron-nitrogen nanotubes Y Belmiloud, W Djitli, H Abdeldjebar, ML Abdelatif, B Tangour, M Brahimi Superlattices and Microstructures 101, 547-558 6 2017 Quantitative structure-activity relationship studies of TIBO derivatives using support vector machines R Darnag, A Schmitzer, Y Belmiloud, D Villemin, A Jarid, A Chait, ... SAR and QSAR in Environmental Research 21 (3-4), 231-246 5 2010 Theoretical studies of the contraction and extension effect in the β-ring of TIBO derivatives Y Belmiloud, A Kadari, M Brahimi, D Cherquaoui, D Villemin, A Schmitzer BIOSCIENCES BIOTECHNOLOGY RESEARCH ASIA 5 (2), 507-514 2 2008 Organobase catalysed one-pot exo-selective synthesis of meso-spiro [cyclohexanone-pyrandione] derivatives O Talhi, H Abdeldjebar, Y Belmiloud, R Hassaine, N Taibi, M Válega, ... New Journal of Chemistry 41 (19), 10790-10798 1 2017 Theoretical study on the self, water-assisted and au-to-assisted dimer proton transfer reaction in the n-hydroxy-methylen-formamide R Larabi, Y Belmiloud, M Brahimi Open Journal of Physical Chemistry 1 (02), 37 1 2011 HF, DFT Studies and NBO Analysis of Phosphazenes and Its-Na+ Complex ML Abdelatif, Y Belmiloud, M Brahimi Asian Journal of Chemistry 21 (7), 5029 1 2009 Theoretical Study of the Linear Short-Chain Phosphazene-Na Complexes ML Abdellatif, B Maouche, Y Belmiloud, N Triaki, M Brahimi Open Structural Biology Journal 3, 26-33 1 2009 Theoretical Study on the Chemical Reactivity in the Armchair Single-walled Carbon Nanotube: Proton and Methyl Group Transfer B Achouri, Y Belmiloud, M Brahimi Physical Chemistry Research 5 (2), 239-251 2017 Etude théorique de la structure et de réactivité des imidates N-acyles Y Belmiloud, D Kheffache, M Brahimi 2015 Modélisation théorique de la séparation d'énantiomères dans un mélange racémique Y Belmiloud 2009 Application of neural network to quantitative structure anti-HIV activity relationships of flavonoid compounds

Initial xyz data of Si/SiO2 interface with hydrogen passivated dangling bonds.

We examined the electrochemical characteristics of the flexible rGO-CNT MSC arrays with their different configurations.

Temperature effects on polaron in triangular quantum dot qubit subjected to an electromagnetic field are studied. We derive the numerical results and formulate the derivative relationships of the ground and first excited state energies, the electron probability density and the electron oscillating period in the superposition state of the ground state and the first-excited state with the temperature, the cyclotron frequency, the electron-phonon coupling constant, the electric field strength, the confinement strength and the Coulomb impurity potential, respectively.

Related Article: Besma Hamdi, Ridha Zouari, Abdelhamid Ben Salah|2018|Superlattices and Microstructures|123|97|doi:10.1016/j.spmi.2018.04.025

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.