Results 21 to 30 of about 12,536,201 (303)

First-principles study for physical properties and stability of Li based chalcopyrite semiconductors: Reliable for green energy sources

Фізика і хімія твердого тіла, 2022
In this research study, we have been performed the first principles calculation for physical properties likewise structural, electronic, optical and mechanical properties of the lithium gallium chalcopyrites LiGaX2 (X= S, Se).
J. Kumari, C. Singh, B.L. Choudhary, A.S. Verma   +3 more
doaj   +1 more source

Electron Localization Properties in Graphene [PDF]

Physical Review Letters, 2006
We study localization properties of the Dirac-like electronic states in monolayers of graphite. In the framework of a general disorder model, we discuss the conditions under which such standard localization effects as the logarithmic temperature-dependent conductivity correction appear to be strongly suppressed, as compared to the case of a two ...
openaire   +2 more sources

Phase Separation of Br-Doped CsPbI₃: A Combined Cluster Expansion, Monte Carlo, and DFT Study

Molecules, 2023
Cluster expansion, which is a method that describes the concentration-dependent thermodynamic properties of materials while maintaining density functional theory accuracy, was used to predict new (CsPbIxBr1−x) structures.
Prettier Maleka, Ratshilumela Dima, David Tshwane, Odireleng Ntwaeaborwa, Rapela Maphanga   +4 more
doaj   +1 more source

Electronic and magnetic properties of the interface between metal-quinoline molecules and cobalt [PDF]

, 2014
It was recently established that spin injection from a ferromagnetic metal into an organic semiconductor depends largely on the formation of hybrid interface states.
Großmann, Nicolas, Drew, Alan J., Zhang, Hongtao, Grossmann, N, Aeschlimann, M, Gillin, William P., Sanvito, Stefano, Gillin, WP, Drew, AJ, Willis, Maureen, Cinchetti, M, Droghetti, Andrea, Sanvito, S, Steil, Sabine, Haag, N, Droghetti, A, Willis, M, Aeschlimann, Martin, Zhang, H, Haag, Norman, Steil, S, Cinchetti, Mirko   +21 more
core   +1 more source

Structure to Property: Machine Learning Methods for Predicting Electronic Properties of Crystals [PDF]

, 2023
We present a general-purpose machine learning model for predicting properties of crystals. Specifically, energy of formation, Fermi level energy, band gap, partial charges, and bulk modulus as well as spectral properties, including electronic and phonon ...
Thana, Maihom, Shokirbek, Shermukhamedov, Michael, Probst, Dilorom, Mamurjonova   +3 more
core   +1 more source

Size limits of magnetic-domain engineering in continuous in-plane exchange-bias prototype films

Beilstein Journal of Nanotechnology, 2018
Background: The application of superparamagnetic particles as biomolecular transporters in microfluidic systems for lab-on-a-chip applications crucially depends on the ability to control their motion.
Alexander Gaul, Daniel Emmrich, Timo Ueltzhöffer, Henning Huckfeldt, Hatice Doğanay, Johanna Hackl, Muhammad Imtiaz Khan, Daniel M. Gottlob, Gregor Hartmann, André Beyer, Dennis Holzinger, Slavomír Nemšák, Claus M. Schneider, Armin Gölzhäuser, Günter Reiss, Arno Ehresmann   +15 more
doaj   +1 more source

Nanoribbon-ring cross perfect metamaterial graphene multi-band absorber in THz range and the sensing application

Results in Physics, 2019
In this paper, we propose a graphene nanoribbon-ring cross structure. A multi-band absorber is obtained by a simple combination of graphene nanoribbons and and graphene ring. We obtain that the theoretical absorption of three resonance wavelengths are 99.
Zao Yi, Jin Huang, Chunlian Cen, Xifang Chen, Zigang Zhou, Yongjian Tang, Boyun Wang, Yougen Yi, Jian Wang, Pinghui Wu   +9 more
doaj   +1 more source

Tuning the Electronic Properties of Mesocrystals

Small Science, 2022
Colloidal crystals are arguably one of the most promising candidates when it comes to the fabrication of nanostructured metamaterials. Especially mesocrystals show exciting new properties that emerge from their inherent directional oriented assembly. With this work, the electrical conductivity of well‐defined micrometer‐sized platinum nanocube‐based ...
Christian Jenewein, Stefan M. Schupp, Bing Ni, Lukas Schmidt-Mende, Helmut Cölfen   +4 more
openaire   +4 more sources

Beyond Conformational Control: Effects of Noncovalent Interactions on Molecular Electronic Properties of Conjugated Polymers [PDF]

, 2021
Tuning the electronic properties of polymers is of great importance in designing highly efficient organic solar cells. Noncovalent intramolecular interactions have been often used for conformational control to enhance the planarity of polymers or ...
Liu, Bin, Bin, Liu, Dario, Rocca, He, Yan, Yan, He, Pan, Ding, Rocca, Dario, Ding, Pan   +7 more
core   +1 more source

Dual-band switchable terahertz metamaterial absorber based on metal nanostructure

Results in Physics, 2019
In this paper, a tunable terahertz metamaterial absorber with two bands is proposed. It is composed of Au reflector, dielectric layer and periodic array of Au. By adjusting different materials and optimizing parameters, it can achieve the characteristics
Yubin Zhang, Chunlian Cen, Cuiping Liang, Zao Yi, Xifang Chen, Meiwen Li, Zigang Zhou, Yongjian Tang, Yougen Yi, Guangfu Zhang   +9 more
doaj   +1 more source