| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Adsorption of small gas molecules onto the two-dimensional Janus SnSSe monolayer
|
Zengin, Y.
|
|
|
36 |
C |
p.
|
article
|
| 2 |
A first-principles study of structural, electronic and transport properties of aluminium and phosphorus-doped graphene
|
Gadhavi, Pratik M.
|
|
|
36 |
C |
p.
|
article
|
| 3 |
Analysis of the volume dependence of Grüneisen parameter for γ-Fe2O3 nanomaterial
|
Anand, K.
|
|
|
36 |
C |
p.
|
article
|
| 4 |
Computational investigation of inverse perovskite SbPX3 (X = Mg, Ca, and Sr) structured materials with applicability in green energy resources
|
Rani, Upasana
|
|
|
36 |
C |
p.
|
article
|
| 5 |
Density functionl theory study of Cs2InAgCl(6-x)Brx (x = 0–3) halide double-perovskites
|
Mahmoudzadeh Pirvahshi, Mojtaba
|
|
|
36 |
C |
p.
|
article
|
| 6 |
DFT based investigation of bulk mechanical, thermophysical and optoelectronic properties of PbTaSe2 topological semimetal
|
Muhasin Reza, A.S.M.
|
|
|
36 |
C |
p.
|
article
|
| 7 |
Editorial Board
|
|
|
|
36 |
C |
p.
|
article
|
| 8 |
Effect of the armchair and zigzag edge terminations on the properties of nanohelicenes: First-principles study
|
Domnin, Anton V.
|
|
|
36 |
C |
p.
|
article
|
| 9 |
Electronic structure, work function and band alignment of low Miller-index β-TaON surfaces; a DFT + U study
|
Lahmer, M.A.
|
|
|
36 |
C |
p.
|
article
|
| 10 |
First-principles investigation of the electronic, mechanical, and thermoelectric properties of TiIrP
|
Jolayemi, O.R.
|
|
|
36 |
C |
p.
|
article
|
| 11 |
First-principles investigations of structural, electronic, vibrational, and thermoelectric properties of half-Heusler VYGe(Y=Rh, Co, Ir)compounds
|
Solola, G.T.
|
|
|
36 |
C |
p.
|
article
|
| 12 |
High-pressure structural, elastic, vibrational, and thermodynamic study of MAX-phase Ti2InN
|
Khediri, Rahma
|
|
|
36 |
C |
p.
|
article
|
| 13 |
Magnetic and electronic properties of Janus CrXO (X=S, Se and Te) monolayer: First-principles and Monte Carlo simulations
|
Ait Tamerd, Mohamed
|
|
|
36 |
C |
p.
|
article
|
| 14 |
Optoelectronic and thermoelectronic properties of 3d, 4d, and 5d based semiconductor half-Heuslers (Ni/Pd/Pt)ScSb with narrow bandgap
|
M. Musa Saad, H.-E.
|
|
|
36 |
C |
p.
|
article
|
| 15 |
Prediction of structural, elastic, electronic and thermoelectric properties of the Rb3CuO and Rb3AgO anti-perovskites
|
Hamada, Samira
|
|
|
36 |
C |
p.
|
article
|
| 16 |
Quantum control of substitutional effects on the S-involved optoelectronic properties of BeSxSe1-X ternary alloys
|
Rafiq, Qaiser
|
|
|
36 |
C |
p.
|
article
|
| 17 |
Structural, mechanical, electronic and optical properties of a new quaternary SrFZnAs compound: A first-principles insight
|
Hamaida, Kheira
|
|
|
36 |
C |
p.
|
article
|
| 18 |
The first-principles examination of the structural, electronic, elastic, phonon, and thermoelectric properties of Cubic LiXN (X = Be, Mg, Zn)
|
Adeleye, Olusola G.
|
|
|
36 |
C |
p.
|
article
|
| 19 |
Theoretical insights on geometrical, mechanical, electronic, thermodynamic and photocatalytic characteristics of RaTiO3 compound: A DFT investigation
|
Zahan, Md. Sarwar
|
|
|
36 |
C |
p.
|
article
|
| 20 |
Theoretical investigation of Ca0.75Cd0.25X (X = S, Se), a novel ternary alloy, in light of its structural, elastic, electronic, and optical properties
|
Gous, M.H.
|
|
|
36 |
C |
p.
|
article
|
| 21 |
Unveiling the mechanical and dynamical stability to the contribution of transport properties of FeNbSb: A first principle approach
|
Olawole, O.C.
|
|
|
36 |
C |
p.
|
article
|
Journal description