| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations of structural, electronic and lattice dynamical properties of YMgNi4Hx (x=0, 1 and 7) for hydrogen storage applications
|
Smain, T.
|
|
|
28 |
C |
p.
|
artikel
|
| 2 |
Ab-initio studies of electronic and magnetic properties of titanium doped methylammonium lead halides
|
Moshat, Sudipta
|
|
|
28 |
C |
p.
|
artikel
|
| 3 |
Adsorption and coadsorption of H and Li on Ag(100) surface: DFT studies including dispersion correction
|
Boungou, C.C.
|
|
|
28 |
C |
p.
|
artikel
|
| 4 |
Band parameters and thermoelectric properties of chalcopyrite ternary compounds CdXP2 (X = Si, Ge and Sn)
|
Megag, Nafissa
|
|
|
28 |
C |
p.
|
artikel
|
| 5 |
Effects of Zn substitution on electronic and magnetic properties of GaFeO3 multiferroic using density functional theory
|
Majidinia, Reza
|
|
|
28 |
C |
p.
|
artikel
|
| 6 |
Electronic and optical properties of Fe doped GaN graphene based: Using DFT
|
Amani, Nyusha
|
|
|
28 |
C |
p.
|
artikel
|
| 7 |
Electronic band structure, mechanical and thermodynamic properties of Erbium chalcogenides ErX (X = S, Se and Te): A computational insight
|
Tripathi, S.N.
|
|
|
28 |
C |
p.
|
artikel
|
| 8 |
Electronic density of states and optical spectra of zigzag SiC nanoribbons from first principles
|
Ghanbari Dazmiri, Mohammad Reza
|
|
|
28 |
C |
p.
|
artikel
|
| 9 |
Electronic, optical, elastic, mechanical and vibrational properties of hexagonal h-ZnS with density functional theory
|
Tse, Geoffrey
|
|
|
28 |
C |
p.
|
artikel
|
| 10 |
Electronic structure and fundamental properties of MoX2 (X=Te, Se and S) compound materials at high pressures and elevated temperatures
|
Berri, Saadi
|
|
|
28 |
C |
p.
|
artikel
|
| 11 |
First principle insight on the structural, mechanical, electronic and optical properties of indirect band gap photovoltaic material Cs2NaBiX6 (X= Cl, Br, I)
|
Anbarasan, Radhakrishnan
|
|
|
28 |
C |
p.
|
artikel
|
| 12 |
First principle investigations of the structural, electronic, magnetic, and optical properties of GaN co-doped with carbon and gold (C–Au@GaN)
|
Latif, Abid
|
|
|
28 |
C |
p.
|
artikel
|
| 13 |
First principles calculations of structural, electronic, mechanical and thermoelectric properties of cubic ATiO3 (A= Be, Mg, Ca, Sr and Ba) perovskite oxide
|
Adewale, Akeem Adekunle
|
|
|
28 |
C |
p.
|
artikel
|
| 14 |
Half-metallic and thermoelectric properties of Sr2EuReO6
|
Berri, Saadi
|
|
|
28 |
C |
p.
|
artikel
|
| 15 |
Investigation of pressure dependence of mechanical properties of SbSI compound in paraelectric phase by Ab Initio method
|
Özer, Tahsin
|
|
|
28 |
C |
p.
|
artikel
|
| 16 |
Quantum magneto-transport properties of GaAs/AlxGa1-xAs Weakly coupled quantum wells for near wavelength infrared detection
|
Melkoud, Samir
|
|
|
28 |
C |
p.
|
artikel
|
| 17 |
Simulation of the ionic conductivity, thermal conductivity and thermotransport of doped zirconia using molecular dynamics
|
Momenzadeh, Leila
|
|
|
28 |
C |
p.
|
artikel
|
| 18 |
Structural, electronic and optical properties of M-doped anatase TiO2 (M= Fe or Au): A first principle investigation
|
Saidi, F.
|
|
|
28 |
C |
p.
|
artikel
|
| 19 |
Structural, electronic and optical properties of strontium and nickel co-doped BaTiO3: A DFT based study
|
Hasan, Mehedi
|
|
|
28 |
C |
p.
|
artikel
|
| 20 |
Structural, magnetic, and electronic properties and stability of 3d-TM substituted single-walled zigzag BNNTs: A density functional theory study
|
Jalalinejad, A.
|
|
|
28 |
C |
p.
|
artikel
|
| 21 |
Theoretical insight of stabilities and optoelectronic features of Ru-based Heusler alloys: Ab-initio calculations
|
Guezmir, A.
|
|
|
28 |
C |
p.
|
artikel
|
| 22 |
Theoretical investigation of thermoelectric property and damage tolerance of LuB2C2 compound
|
Jayalakshmi, D.S.
|
|
|
28 |
C |
p.
|
artikel
|
| 23 |
Theoretical study of Au20/WS2 composite material as a potential candidate for the capture of XO (X=C, N, S) gases
|
Celaya, Christian A.
|
|
|
28 |
C |
p.
|
artikel
|
| 24 |
Tuning of the electronic and optical properties of AlN monolayer by fluorination: Study of many-body effects
|
Karami, I.
|
|
|
28 |
C |
p.
|
artikel
|
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