nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Analysis of thermoelastic properties of NaCl ionic solid at elevated pressures and temperatures
|
Rashmi, V. |
|
|
42 |
C |
p. |
artikel |
2 |
Boron phosphide nanotubes as anodes for Li batteries
|
Cardoso, Günther L. |
|
|
42 |
C |
p. |
artikel |
3 |
Calculation of the melting curve of metals using equations of state and Lindemann's law
|
Srivastava, Abhay P. |
|
|
42 |
C |
p. |
artikel |
4 |
Comparative analysis of electronic, mechanical, vibrational, thermodynamical and thermoelectric properties of Li based quaternary Heusler's LiNbRhAl, LiNbRhGa and LiNbRhIn alloys: A DFT study
|
Suktel, Lokanksha |
|
|
42 |
C |
p. |
artikel |
5 |
Compilation and deciphering Sr2AlMoO6 physical properties: An accurate benchmark DFT simulations
|
Benchellali, S. |
|
|
42 |
C |
p. |
artikel |
6 |
Computational investigations of structural, electronic, and optical properties of (Mg, Li, Fe)-doped CsSnCl3 for optoelectronic applications: By first principles
|
Ahmad, Rana Bilal |
|
|
42 |
C |
p. |
artikel |
7 |
Corrigendum to “Investigations of the physical behavior of Cr2PX (X = C and N) MAX phases through first-principles calculations” [Comput. Condens. Matter (2024)/ e00937]
|
Ul Haq, Bakhtiar |
|
|
42 |
C |
p. |
artikel |
8 |
Density functional theory calculation of electronic and optical properties of C u I n 1 − x A l x T e 2 alloys: Promising materials for solar cell applications
|
Noorafshan, Maryam |
|
|
42 |
C |
p. |
artikel |
9 |
Density functional theory study of halide double perovskites A₂KTlX₆ (A = Cs, Rb; X = Cl, Br) for photovoltaic applications
|
Hasan, Sayed Sahriar |
|
|
42 |
C |
p. |
artikel |
10 |
DFT and BoltzTrap investigations on the thermal and structural characteristics of the perovskite MgCuH3 and MgCoH3
|
Koufi, Ayoub |
|
|
42 |
C |
p. |
artikel |
11 |
Editorial Board
|
|
|
|
42 |
C |
p. |
artikel |
12 |
Enhanced spintronic and thermoelectric performance in vanadium-doped CaTiO3: An ab-initio study
|
Aaouita, K. El |
|
|
42 |
C |
p. |
artikel |
13 |
Exploring quaternary Heusler alloys RhX'ZrZ (X' = Cr, fe; Z = Si, Ge) for advanced spintronic devices: A first-principles approach
|
Labar, Kunal |
|
|
42 |
C |
p. |
artikel |
14 |
Exploring RbSnCl3 and RbPbCl3 perovskites for solar cell applications using a first-principles approach: Multiobjective optimization beyond conventional methods
|
Alsalamah, Ibtihal M. |
|
|
42 |
C |
p. |
artikel |
15 |
Exploring the stability, optoelectronic, and thermoelectric properties of Sc-based double perovskites X₂ScAgI₆ (X = K, Rb, Cs) for renewable energy applications
|
Jehangir, Muhammad Awais |
|
|
42 |
C |
p. |
artikel |
16 |
First-principles calculation on electronic structures, phonon dispersions, electronic and thermal conductivity and molecular dynamics of CsYbCl3 perovskite crystal
|
Suzuki, Atsushi |
|
|
42 |
C |
p. |
artikel |
17 |
High valent cation/anion co-doped O3 NaNiO2high performing cathode for sodium battery
|
Maurya, Diksha |
|
|
42 |
C |
p. |
artikel |
18 |
Investigation on structural, electronic, transport and thermoelectric properties of Boron/Nitrogen doped Graphene
|
Gadhavi, Pratik M. |
|
|
42 |
C |
p. |
artikel |
19 |
Key difference of input data organization to the predictions of symmetry information and layer number for quasi-2D films from band structure
|
Sze, Wai Ho Reo |
|
|
42 |
C |
p. |
artikel |
20 |
Magnetism and optical properties of LiMgAs doped with co: First-principles calculations
|
Zhang, Wenchao |
|
|
42 |
C |
p. |
artikel |
21 |
Magneto-optic and photocatalytic response of CuCrX3 (X=Cl, Br, I) for energy storage applications
|
Asghar, Mazia |
|
|
42 |
C |
p. |
artikel |
22 |
Semiconductor to semimetallic transition in halide perovskite FrBCl 3 (B = Ge, Sn) under hydrostatic pressure: A DFT insights
|
Jaman, Sahadat |
|
|
42 |
C |
p. |
artikel |
23 |
Simple approach to more efficient density functional theory simulations
|
Benaissa, Mohammed |
|
|
42 |
C |
p. |
artikel |
24 |
Small band gap Pb-free double perovskites X2NaSbBr6 (X=Na, Li): A study of the stabilities, opto-electronic and thermoelectric aspects from the first-principles approach
|
Shah, Syed Zuhair Abbas |
|
|
42 |
C |
p. |
artikel |
25 |
Study of magnetic, electronic, optical, thermodynamic and thermoelectric properties of double perovskite Sr2NbFeO6: An Ab initio calculations with GGA+U approximation and Monte Carlo simulations
|
Imami, M. |
|
|
42 |
C |
p. |
artikel |
26 |
Systematic investigation of a metallic quadrilateral nanoribbon graphene allotrope for application in nanoelectronics
|
Duarte, J.M. |
|
|
42 |
C |
p. |
artikel |
27 |
Theoretical insights into the piezoelectric and structural properties of TiOX2 (X=Br, Cl, F) monolayers
|
Alyörük, M. Menderes |
|
|
42 |
C |
p. |
artikel |
28 |
Theoretical study of the non-covalent functionalization of carbon nanotubes for NO and CO detection
|
Bensifia, Mohamed |
|
|
42 |
C |
p. |
artikel |