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Electronic properties of surface vacancies in CdS nanocrystals
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Electronic properties of surface vacancies in CdS nanocrystals
I. M. Kupchak et al · Vasyl Stefanyk Carpathian National University · 2018 · ISSN 1729-4428
Structural and electronic characteristics of neutral and charged vacancies of cadmium and sulfur in CdS nanocrystals have been performed using the density functional method with hybrid exchange-correlation functional. To...
LCC TENDOlBoeXNpY3M~Idioma eng
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MXenes: focus on optical and electronic properties and corresponding applications
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MXenes: focus on optical and electronic properties and corresponding applications
Wang Yifan et al · Wiley · 2020 · ISSN 2192-8606
The discovery of graphene, the first two-dimensional (2D) material, has caused an upsurge, as this kind of material revealed a tremendous potential of application in areas such as energy storage, electronics, and gas sep...
LCC TENDOlBoeXNpY3M~Idioma eng
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Optical, photonic and optoelectronic properties of graphene, h-BN and their hybrid materials
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Optical, photonic and optoelectronic properties of graphene, h-BN and their hybrid materials
Wang Jingang et al · Wiley · 2017 · ISSN 2192-8614
Because of the linear dispersion relation and the unique structure of graphene’s Dirac electrons, which can be tuned the ultra-wide band, this enables more applications in photonics, electronics and plasma optics. As a...
LCC TENDOlBoeXNpY3M~Idioma eng
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Strain-induced effects on the electronic properties of 2D materials
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Strain-induced effects on the electronic properties of 2D materials
Sara Postorino et al · SAGE Publishing · 2020 · ISSN 1847-9804
Thanks to the ultrahigh flexibility of 2D materials and to their extreme sensitivity to applied strain, there is currently a strong interest in studying and understanding how their electronic properties can be modulated ...
LCC LCC:Materials of engineering and construction. Mechanics of materials; TENDOlRlY2hub2xvZ3k~Idioma eng
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Ab initio study of the cohesive properties, electronic structure and thermodynamic stability of the Ni-In and Ni-Sn intermetallics
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Ab initio study of the cohesive properties, electronic structure and thermodynamic stability of the Ni-In and Ni-Sn intermetallics
Ramos, Susana Beatriz et al · Elsevier · 2013 · ISSN 0925-8388
A comprehensive study of the structural, cohesive and electronic properties of several stable, metastable and non-stable intermetallic phases (IPs) of the Ni–In and Ni–Sn systems have been performed by ab initio dens...
Idioma eng
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Theoretical Simulation of mechanical, phonon dispersion and related electronic crystal properties of Niobium: a DFT study
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Theoretical Simulation of mechanical, phonon dispersion and related electronic crystal properties of Niobium: a DFT study
Omamoke Enaroseha et al · Vasyl Stefanyk Carpathian National University · 2025 · ISSN 1729-4428
In this research, we investigate the mechanical, phonon dispersion, and electronic properties of Niobium (Nb) using Density Functional Theory (DFT). Utilizing the Quantum ESPRESSO package, we performed comprehensive DFT ...
LCC TENDOlBoeXNpY3M~Idioma eng
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Parameters of crystal and electronic structure and magnetic properties of mechanically alloyed Ni3C cubic carbide
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Parameters of crystal and electronic structure and magnetic properties of mechanically alloyed Ni3C cubic carbide
O.I. Nakonechna et al · Vasyl Stefanyk Carpathian National University · 2021 · ISSN 1729-4428
The cubic Ni3.3C carbide has been fabricated by mechanical alloying of elemental Ni powder and the multiwalled carbon nanotubes in a high energy planetary ball mill. Crystal structure of carbide obtained belongs to the d...
LCC TENDOlBoeXNpY3M~Idioma eng
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Influence of metal atom substitution on the electronic and optical properties of solid-state Cd0.75X0.25Te (X= Cu, Ag and Au) solutions
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Influence of metal atom substitution on the electronic and optical properties of solid-state Cd0.75X0.25Te (X= Cu, Ag and Au) solutions
A.I. Kashuba · Vasyl Stefanyk Carpathian National University · 2023 · ISSN 1729-4428
The solid-state Cd0.75X0.25Te (X= Cu, Ag, and Au) solutions crystallize in the cubic structure and are studied in the framework of density functional theory. The theoretical first-principle calculations of the electronic...
LCC TENDOlBoeXNpY3M~Idioma eng
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Tuning the electronic and electrochemical properties of 2D SiC by defect insertion for next-generation metal-ion battery anodes: first principles prediction
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Tuning the electronic and electrochemical properties of 2D SiC by defect insertion for next-generation metal-ion battery anodes: first principles prediction
Nura Ibrahim et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract We employ density functional theory (DFT) to investigate how Stone–Wales (SW) defects modulate the electronic and electrochemical properties of two-dimensional silicon carbide (SiC) monolayer for sodium (Na)-,...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Multifunctional properties of the double perovskite Ca₂GaAsO₆ investigated using density functional theory
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Multifunctional properties of the double perovskite Ca₂GaAsO₆ investigated using density functional theory
Aman Kumar et al · Springer · 2026 · ISSN 2948-1600
Abstract A first-principles study of the structural, electronic, magnetic, mechanical, and optical properties of the double perovskite Ca₂GaAsO₆ is presented using density functional theory with the Perdew-Burke-Ernz...
LCC LCC:Electrical engineering. Electronics. Nuclear engineering; LCC:MathematicsIdioma eng
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Effect of Ag+ on the Excited-State Properties of a Gas-Phase (Cytosine)2Ag+ Complex: Electronic Transition and Estimated Lifetime
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Effect of Ag+ on the Excited-State Properties of a Gas-Phase (Cytosine)2Ag+ Complex: Electronic Transition and Estimated Lifetime
Berdakin, Matias et al · American Chemical Society · 2014 · ISSN 2295-2301
Recently, DNA molecules have received great attention because of their potential applications in material science. One interesting example is the production of highly fluorescent and tunable DNA–Agn clusters with cytos...
Idioma eng
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Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications
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Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications
Huda Bukheet Hassan et al · Vasyl Stefanyk Carpathian National University · 2021 · ISSN 1729-4428
This paper aims to investigate the structural, optical and electrical properties of PEO doped with NiO. The DFT calculations have been performed using Gaussian 09 package of programs. The calculated electronic properties...
LCC TENDOlBoeXNpY3M~Idioma eng
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Assessment of taste profile dynamics during crabapple (Malus prunifolia (Willd.) Borkh.) ripening by metabolomics and electronic tongue analysis
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Assessment of taste profile dynamics during crabapple (Malus prunifolia (Willd.) Borkh.) ripening by metabolomics and electronic tongue analysis
Xiao-Hua Dai et al · Frontiers Media S.A · 2026 · ISSN 2296-861X
Crabapple (Malus prunifolia (Willd.) Borkh) is valued for its ornamental appearance, effectiveness as a rootstock, and rich nutritional profile. However, the flavor profile and metabolite composition are poorly character...
LCC LCC:Nutrition. Foods and food supplyIdioma eng
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Flexible NbTiN thin films for superconducting electronics
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Flexible NbTiN thin films for superconducting electronics
Rezinovsky Nieto, S. J. et al · Elsevier Science · 2023 · ISSN 0921-4534
We compare the superconducting properties of 100 nm thick NbTiN films grown by reactive sputtering on silicon and flexible commercial polyimide. The samples are fabricated by co-sputtering using Nb and Ti targets at room...
Idioma eng
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Integrated material–process–performance 3D printing of multilayer soft electronics using stretchable conductors
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Integrated material–process–performance 3D printing of multilayer soft electronics using stretchable conductors
Zhenghao Li et al · IOP Publishing · 2026 · ISSN 2631-7990
Three-dimensional (3D) printing technology enables the rapid manufacturing of complex prototypes and customized soft electronics. However, the integrated manufacturing of multilayer, multimaterial, and multifunctional so...
LCC LCC:Materials of engineering and construction. Mechanics of materials; TENDOkluZHVzdHJpYWwgZW5naW5lZXJpbmcuIE1hbmFnZW1lbIdioma eng
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Interformat equivalence between paper and electronic administrations of the self-assessment anhedonia scale in a substance use disorder clinical sample
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Interformat equivalence between paper and electronic administrations of the self-assessment anhedonia scale in a substance use disorder clinical sample
Yolibel Sanjuán et al · Frontiers Media S.A · 2026 · ISSN 1664-1078
BackgroundThe increasing integration of digital tools in clinical practice and research has led to the widespread use of electronically administered questionnaires. However, when a paper-and-pencil (paper-based) instrume...
LCC TENDOlBzeWNob2xvZ3k~Idioma eng
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Physicochemical Properties of Restructured Black Goat Jerky with Various Types of Ultra-Ground Seaweed Powders
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Physicochemical Properties of Restructured Black Goat Jerky with Various Types of Ultra-Ground Seaweed Powders
Ui-Bin Baek et al · Springer Nature · 2024 · ISSN 2636-0772
Abstract This study investigated the effects of ultra-ground seaweed powders (USP) on the physicochemical properties (proximate composition, mineral contents, pH, color, shear force, sensory evaluation, electronic nose, ...
LCC TENDOkZvb2QgcHJvY2Vzc2luZyBhbmQgbWFudWZhY3R1cmU~; LCC:Animal cultureIdioma eng
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Structural optimization stability, electronic, high performance thermoelectric, and magnetic characteristics of MgFe₂O₄ spinel for high-temperature energy conversion and spintronic applications via first principles investigation
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Structural optimization stability, electronic, high performance thermoelectric, and magnetic characteristics of MgFe₂O₄ spinel for high-temperature energy conversion and spintronic applications via first principles investigation
Zahid Ullah · Springer · 2026 · ISSN 2948-1600
Abstract This work uses density functional theory (DFT) in the FP-LAPW technique implemented in WIEN2k to offer comprehensive first-principles analysis of the structural, electronic, thermoelectric, and magnetic properti...
LCC LCC:Electrical engineering. Electronics. Nuclear engineering; LCC:MathematicsIdioma eng
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The Effect of Hot-Air Dried Lentinula edodes on the Quality and Oranoleptic Properties of Rolled-Dumplings
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The Effect of Hot-Air Dried Lentinula edodes on the Quality and Oranoleptic Properties of Rolled-Dumplings
Go Ha-Yoon et al · Springer Nature · 2022 · ISSN 2636-0772
Abstract The effect of hot-air dried Lentinula edodes pileus (DLE) on the quality and organoleptic properties of rolled-dumplings was evaluated. DLE was prepared by drying at 60°C for 24 h and added (Non, 7%, and 9%) to...
LCC TENDOkZvb2QgcHJvY2Vzc2luZyBhbmQgbWFudWZhY3R1cmU~; LCC:Animal cultureIdioma eng
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Experimental and numerical investigation of the microwave dielectric properties of the MgTiO3 ceramic matrix added with CaCu3Ti4O12
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Experimental and numerical investigation of the microwave dielectric properties of the MgTiO3 ceramic matrix added with CaCu3Ti4O12
P.W.S. Oliveira et al · Sociedade Brasileira de Microondas e Optoeletrônica e Sociedade Brasileira de Eletromagnetismo · ISSN 2179-1074
Abstract This paper describes an experimental and numerical investigation of the dielectric resonators based on the MgTiO3 ceramic matrix, which relates to their dielectric properties in microwave. The resonators are com...
LCC LCC:Electrical engineering. Electronics. Nuclear engineeringIdioma eng
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Could Electronic Anapolar Interactions Drive Enantioselective Syntheses in Strongly Nonuniform Magnetic Fields?: A Computational Study
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Could Electronic Anapolar Interactions Drive Enantioselective Syntheses in Strongly Nonuniform Magnetic Fields?: A Computational Study
Pagola, Gabriel Ignacio et al · American Chemical Society · 2019 · ISSN 1549-9618
It is shown that the anapolar interaction of the electrons of a molecule with an external uniform magnetic field B and a uniform curl C = × B′ determines different thermodynamic stabilization of the ground state for t...
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Equivariant electronic Hamiltonian prediction with many-body message passing
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Equivariant electronic Hamiltonian prediction with many-body message passing
Chen Qian et al · Nature Portfolio · 2026 · ISSN 2057-3960
Abstract Machine learning surrogate models of Kohn-Sham Density Functional Theory Hamiltonians provide a powerful tool for accelerating the prediction of electronic properties of materials, such as electronic band struct...
LCC LCC:Materials of engineering and construction. Mechanics of materials; LCC:Computer softwareIdioma eng
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Nanowire Optoelectronics
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Nanowire Optoelectronics
Wang Zhihuan et al · Wiley · 2015 · ISSN 2192-8606
Semiconductor nanowires have been used in a variety of passive and active optoelectronic devices including waveguides, photodetectors, solar cells, light-emitting diodes (LEDs), lasers, sensors, and optical ant...
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