| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio predictions of structures and physical properties of the KCuX (X = Se and Te) phases under pressure
|
Boualleg, M.
|
|
|
30 |
C |
p.
|
artikel
|
| 2 |
ab initio study of CsBiO 3 oxide-perovskite, dynamical stability and bonding analysis
|
Medjdoub, Fatima-Zohra
|
|
|
30 |
C |
p.
|
artikel
|
| 3 |
A density functional study of electronic and optical properties of perovskite (CH3CH2NH3PbI3) for photovoltaic cell application
|
Joshi, Tarun Kumar
|
|
|
30 |
C |
p.
|
artikel
|
| 4 |
A first principles investigation on the structural, elastic, and mechanical properties of MAX phase M 3AlC2 (M= Ta, Ti, V) as a function of pressure
|
Sailuam, Wutthigrai
|
|
|
30 |
C |
p.
|
artikel
|
| 5 |
Atomistic elucidation of mechanical properties and fracture phenomenon of defective indium selenide monolayer
|
Jamil, Md. Faiyaz
|
|
|
30 |
C |
p.
|
artikel
|
| 6 |
Band gap controlling of doped bulk silicon carbide structure under the influence of tensile stress: DFT
|
Omari, Rami
|
|
|
30 |
C |
p.
|
artikel
|
| 7 |
Bright future in optoelectronics, photovoltaics and thermoelectric using the double perovskites oxides BaSrMgB’O6 (B’=Te, W)
|
Benguerine, O.
|
|
|
30 |
C |
p.
|
artikel
|
| 8 |
Computational study of mechanical properties in β C u − A l − Z n
|
Alés, Alejandro
|
|
|
30 |
C |
p.
|
artikel
|
| 9 |
Effect of chiral angle and chiral index on the vibration of single-walled carbon nanotubes using nonlocal Euler-Bernoulli beam model
|
Noureddine, Moulay
|
|
|
30 |
C |
p.
|
artikel
|
| 10 |
Effects of nanostructures on the hydrogen storage properties of MgH2 - A first principles study
|
Iyakutti, K.
|
|
|
30 |
C |
p.
|
artikel
|
| 11 |
Elastic, lattice dynamical, thermal, electronic, and optical properties of nano-semiconductor CdTe under the effect of temperature
|
Al Maaitah, Ibtisam F.
|
|
|
30 |
C |
p.
|
artikel
|
| 12 |
Electronic characteristics of SbBi binary nanoflakes
|
Kokabi, Alireza
|
|
|
30 |
C |
p.
|
artikel
|
| 13 |
Enhanced visible light photocatalytic activity of KTaO3 (Se,V): DFT investigation
|
Mezzat, F.
|
|
|
30 |
C |
p.
|
artikel
|
| 14 |
Evaluation of structural, electronic, optical, elastic, and mechanical properties of triclinic Sn-doped Ga2O3 using density functional theory
|
Tse, Geoffrey
|
|
|
30 |
C |
p.
|
artikel
|
| 15 |
Evaluation of the structural, electronic, optical, elastic, and mechanical properties of As2Se3
|
Tse, Geoffrey
|
|
|
30 |
C |
p.
|
artikel
|
| 16 |
First principal calculations to investigate structural, electronic, optical, and magnetic properties of Fe3O4and Cd-doped Fe2O4
|
Jameel, Muhammad Hasnain
|
|
|
30 |
C |
p.
|
artikel
|
| 17 |
First-principles calculations of electronic and optical properties of orthorhombic Bi2Se3 nano thin film
|
Mohyedin, M.Z.
|
|
|
30 |
C |
p.
|
artikel
|
| 18 |
First-principles studies of electronic structure, magnetic and optical properties of rare-earth (RE= Sm, Eu, Gd, and Er) doped ZnS
|
Hedjar, H.
|
|
|
30 |
C |
p.
|
artikel
|
| 19 |
First-principles study of double perovskites Cs2Sn(Br1−x I x )6 for the design of high-efficiency thin-film photovoltaics
|
Kinani, M.A.
|
|
|
30 |
C |
p.
|
artikel
|
| 20 |
First-principles study of opto-electronic and thermoelectric properties of SrCdSnX4 (X=S, Se, Te) alkali metal chalcogenides
|
Irfan, Muhammad
|
|
|
30 |
C |
p.
|
artikel
|
| 21 |
First-principles study of structural, electronic, elastic, and optical properties of the tetragonal AInS2 (A=K, Rb, Cs) chalcogenides
|
Bouchenafa, M.
|
|
|
30 |
C |
p.
|
artikel
|
| 22 |
First-principles study of the electronic and optical properties of homo-doped 2D-hBN monolayer
|
Aga, Genene Shiferaw
|
|
|
30 |
C |
p.
|
artikel
|
| 23 |
First-principles study on electronic and thermoelectric properties of Janus monolayers AsXC3 (X: Sb, Bi)
|
Marjaoui, Adil
|
|
|
30 |
C |
p.
|
artikel
|
| 24 |
First-principles study on structural, electronic, and magnetic properties of 3d transition metal-substituted chiral (6, 3) carbon nanotube
|
Gholizadeh, Ahmad
|
|
|
30 |
C |
p.
|
artikel
|
| 25 |
Formation energy, mechanical and electronic properties of buckled heptazine ( C 6 N 8 ) sheet: First-principles calculations
|
Abdullahi, Yusuf Zuntu
|
|
|
30 |
C |
p.
|
artikel
|
| 26 |
Hybrid density functional theory study on zinc blende GaN and diamond surfaces and interfaces: Effects of size, hydrogen passivation, and dipole corrections
|
Welch, Eric
|
|
|
30 |
C |
p.
|
artikel
|
| 27 |
Influence of Nitrogen and Boron on the magnetization of nanoporous graphene : A first-principle investigation
|
Douma, D.H.
|
|
|
30 |
C |
p.
|
artikel
|
| 28 |
Melting curves of diatomic solids using the Lindemann law and a density-dependent Grüneisen parameter
|
K, Anand
|
|
|
30 |
C |
p.
|
artikel
|
| 29 |
Optical properties of InAs, InSb and InAs x Sb 1 − x (x=0.25, 0.5, 0.75) alloys under strain
|
Namjoo, Shirin
|
|
|
30 |
C |
p.
|
artikel
|
| 30 |
Performance comparison of hybrid functionals for describing narrow-gap semiconductors: A study on low-temperature thermoelectric material α-SrSi2
|
Shiojiri, Daishi
|
|
|
30 |
C |
p.
|
artikel
|
| 31 |
Spin transport properties of boron nitride nanotubes: A DFT study
|
Mohammadi, Sohrab
|
|
|
30 |
C |
p.
|
artikel
|
| 32 |
Study of elastic properties of prototype solids under high pressure
|
Singh, S.P.
|
|
|
30 |
C |
p.
|
artikel
|
| 33 |
Study on quaternary diamond-like Li2CaGeO4 properties for optoelectronic applications
|
Berri, Saadi
|
|
|
30 |
C |
p.
|
artikel
|
| 34 |
Theoretical investigation of structural, electronic and optical properties of Sc-doped SnO2
|
Beloufa, Nabil
|
|
|
30 |
C |
p.
|
artikel
|
| 35 |
Tuning of optoelectronic and transport properties of zinc-blend magnesium chalcogenides through doping of Hg atom(s): The mBJ-GGA+U based first-principle calculations
|
Debbarma, Manish
|
|
|
30 |
C |
p.
|
artikel
|
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