| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Cation/anion codoped Ni -rich layered cathode for high- performance lithium- ion battery
|
Singh, Sarva Shakti
|
|
|
41 |
C |
p.
|
artikel
|
| 2 |
Computational investigation of the structural, mechanical and acoustic characteristics of rare earth based Heusler compounds
|
Saeed, Waqas
|
|
|
41 |
C |
p.
|
artikel
|
| 3 |
Computational investigation on structural, elastic, and optoelectronic properties of low-cost perovskites CaSiX3 (X=S, Se, and Te): photovoltaic application
|
Bouguerra, Zakarya
|
|
|
41 |
C |
p.
|
artikel
|
| 4 |
DFT assessment on the future prospects of inorganic lead-free halide double perovskites Cs2ABI6 (AB: GeZn, SnBe) for energy conversion technologies
|
Caid, Messaoud
|
|
|
41 |
C |
p.
|
artikel
|
| 5 |
DFT based computational investigations of the physical properties of chalcogenide perovskites CsXS3 (X=P, Ta) for optoelectronic and photovoltaic applications
|
Rahman, Md Zillur
|
|
|
41 |
C |
p.
|
artikel
|
| 6 |
DFT-based Prediction of promising structural, elastic and Thermoelectronic properties in BaAgX3 (X= I, Br, and Cl) halide perovskites
|
Mekhalefbenhafsa, L.
|
|
|
41 |
C |
p.
|
artikel
|
| 7 |
DFT calculations with and without spin polarization of the adsorption and decomposition of NCO and OCN on the Ag(110) surface
|
Boungou, C.C.
|
|
|
41 |
C |
p.
|
artikel
|
| 8 |
DFT study of the electronic, optical and elastic properties of Cu2-xAgxMgSnS4 (x=0, 0.5, 1, 1.5, 2) alloys using TB-mBJ+U potential
|
Aram Senthil Srinivasan, R.
|
|
|
41 |
C |
p.
|
artikel
|
| 9 |
Doping dependent magnetic and thermoelectric response of perovskite BaGeO3 for spintronics and energy applications
|
Hussain, Mubashir
|
|
|
41 |
C |
p.
|
artikel
|
| 10 |
Editorial Board
|
|
|
|
41 |
C |
p.
|
artikel
|
| 11 |
Effects of applied pressure on structural, electronic, and optical properties of magnesium incorporated wurtzite beryllium oxide at different magnesium compositions
|
Debnath, Bimal
|
|
|
41 |
C |
p.
|
artikel
|
| 12 |
Electronic structure, phonons, and optical properties of nitrogen-enriched 5-aminotetrazolium nitrate (5-ATN)
|
Mukherjee, Supratik
|
|
|
41 |
C |
p.
|
artikel
|
| 13 |
First-principles investigation of the metal-insulator transition in the high-temperature phase of VO2 (A) at 473 K
|
Biswas, Sarajit
|
|
|
41 |
C |
p.
|
artikel
|
| 14 |
Influence of non-metals doping on the structural, electronic, optical, and photocatalytic properties of rutile TiO2 based on density functional theory computations
|
Geldasa, Fikadu Takele
|
|
|
41 |
C |
p.
|
artikel
|
| 15 |
Insights into the electronic, optoelectronic, and photocatalytic properties of octahedrally coordinated strontium dichloride (SrCl2) monolayer
|
Kumar, Vipin
|
|
|
41 |
C |
p.
|
artikel
|
| 16 |
Insights on structural, elastic, electronic and optical properties under pressure of Cs-based fluoroperovskite CsMF3 (M=Ge, Sn, and Pb) compounds
|
Slimani, R.
|
|
|
41 |
C |
p.
|
artikel
|
| 17 |
Kinetics of the bcc to hcp phase transition in [ 001 ] -oriented single crystal iron under ramp compression
|
Hassan, M.A. Nassirou
|
|
|
41 |
C |
p.
|
artikel
|
| 18 |
Novel Tl2SnX6 (X=Cl,Br) double perovskites for photovoltaic applications: A DFT insight
|
Pingak, Redi Kristian
|
|
|
41 |
C |
p.
|
artikel
|
| 19 |
Optical properties of rutile TiO 2 with Zr, Mo, Zn, Cd impurities
|
Ohno, Kaoru
|
|
|
41 |
C |
p.
|
artikel
|
| 20 |
Rhombohedral and hexagonal phases of Janus-type XMSiN 2 (X = S, Se, Te, M = Mo, W) monolayers: Computational study
|
Meftakhutdinov, R.M.
|
|
|
41 |
C |
p.
|
artikel
|
| 21 |
Spatial dynamics of electron density and incompressibility in monolayer graphene under quantum Hall conditions
|
Atci, H.
|
|
|
41 |
C |
p.
|
artikel
|
| 22 |
Structural, electronic and optical properties of CdTiX2 (X = N and P): A first principles density functional theory investigation
|
Mishra, S.P.
|
|
|
41 |
C |
p.
|
artikel
|
| 23 |
Structural, thermodynamic, magnetic and electronic properties of novel bromide double perovskites Rb2XBr6 (X4+ = V4+, Cr4+, Mn4+) from first-principles DFT computational modeling
|
H.-E., M. Musa Saad
|
|
|
41 |
C |
p.
|
artikel
|
| 24 |
Study of the fundamental physical characteristics of the Zintl phase K2BaCdSb2
|
Nasrallah, Hadjer
|
|
|
41 |
C |
p.
|
artikel
|
| 25 |
Study of the optical response and thermal heat conversion efficiency of quaternary Zintl (RECuZnAs2, where RE = Y, Lu) compounds through first principles study
|
Jehangir, Muhammad Awais
|
|
|
41 |
C |
p.
|
artikel
|
| 26 |
Study of ultra-wide bandgap beryllium based perovskite ZBeF3 (Z = Na, Rb, Cs) alloys for smart window applications: A DFT insights
|
Hussain, Shoukat
|
|
|
41 |
C |
p.
|
artikel
|
| 27 |
The effect of pressure on the physical properties of ScFe2 Laves phases
|
Yang, Yue
|
|
|
41 |
C |
p.
|
artikel
|
| 28 |
The structural, elastic, electronic, and optical properties of the rhombohedral La2NiMnO6 double perovskite compound at different temperatures
|
Kaya, Fırat
|
|
|
41 |
C |
p.
|
artikel
|
| 29 |
The structural stability and mechanical properties of doped Al2Cu precipitates with different elements by first-principles calculations
|
Li, Jiyi
|
|
|
41 |
C |
p.
|
artikel
|
| 30 |
Unveiling the DFT perspectives on structural, elastic, electronic, optical and thermal properties of XMn2As2 (X = Ca, Sr)
|
Rahman, Md Zillur
|
|
|
41 |
C |
p.
|
artikel
|
Tijdschrift beschrijving