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                             28 results found
no title author magazine year volume issue page(s) type
1 Analysis of thermoelastic properties of NaCl ionic solid at elevated pressures and temperatures Rashmi, V.
42 C p.
 article
2 Boron phosphide nanotubes as anodes for Li batteries Cardoso, Günther L.
42 C p.
 article
3 Calculation of the melting curve of metals using equations of state and Lindemann's law Srivastava, Abhay P.
42 C p.
 article
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.
 article
5 Compilation and deciphering Sr2AlMoO6 physical properties: An accurate benchmark DFT simulations Benchellali, S.
42 C p.
 article
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.
 article
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.
 article
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.
 article
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.
 article
10 DFT and BoltzTrap investigations on the thermal and structural characteristics of the perovskite MgCuH3 and MgCoH3 Koufi, Ayoub
42 C p.
 article
11 Editorial Board
42 C p.
 article
12 Enhanced spintronic and thermoelectric performance in vanadium-doped CaTiO3: An ab-initio study Aaouita, K. El
42 C p.
 article
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.
 article
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.
 article
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.
 article
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.
 article
17 High valent cation/anion co-doped O3 NaNiO2high performing cathode for sodium battery Maurya, Diksha
42 C p.
 article
18 Investigation on structural, electronic, transport and thermoelectric properties of Boron/Nitrogen doped Graphene Gadhavi, Pratik M.
42 C p.
 article
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.
 article
20 Magnetism and optical properties of LiMgAs doped with co: First-principles calculations Zhang, Wenchao
42 C p.
 article
21 Magneto-optic and photocatalytic response of CuCrX3 (X=Cl, Br, I) for energy storage applications Asghar, Mazia
42 C p.
 article
22 Semiconductor to semimetallic transition in halide perovskite FrBCl 3 (B = Ge, Sn) under hydrostatic pressure: A DFT insights Jaman, Sahadat
42 C p.
 article
23 Simple approach to more efficient density functional theory simulations Benaissa, Mohammed
42 C p.
 article
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.
 article
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.
 article
26 Systematic investigation of a metallic quadrilateral nanoribbon graphene allotrope for application in nanoelectronics Duarte, J.M.
42 C p.
 article
27 Theoretical insights into the piezoelectric and structural properties of TiOX2 (X=Br, Cl, F) monolayers Alyörük, M. Menderes
42 C p.
 article
28 Theoretical study of the non-covalent functionalization of carbon nanotubes for NO and CO detection Bensifia, Mohamed
42 C p.
 article
                             28 results found
 
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