Skip navigation
Home
Browse
Communities
& Collections
Browse Items by:
Issue Year
Author
Title
Keywords
Recent Submissions
FAQ
Top 10 Submissions
Top 10 SumSU Authors
Statistics
Help
Sign on
My DSpace
Receive email
updates
Edit Profile
SumDU Repository
Browsing by Keywords DFT
Showing results 1 to 20 of 25
Issue Year
Title
Author(s)
Type
Views
Downloads
2019
A DFT Study of Hydrogen Adsorption on h-BN: Boron Doping Effects
Petrushenko, I.K.
Article
-1111841151
1957408146
2017
A DFT Study of Hydrogen Adsorption onto Graphene: Effect of Nitrogen Doping
Petrushenko, I.K.
Article
1558544669
-550239190
2016
A DFT Study on Electronic and Structural Properties of Graphene Nanoribbons
Petrushenko, I.K.
Article
-1656193696
-1890360876
2013
Car-Parrinello Molecular Dynamics of Nanosized Graphene Sheets
Wang, S.Q.
Conference Papers
101703391
266303502
2022
Charge Density and Density of States (DOS) of Monoclinic ZrO2 Using Meta-GGA DFT Functional
Mostefai, Abdelkrim
Article
1193579428
-61071302
2016
DFT Study on Structural and Mechanical Properties of Single-walled Carbon and Boron Nitride Nanotubes Functionalized with Carbenes
Petrushenko, I.K.
Article
1466752840
932072330
2020
Electronic Properties of Tetrataenite L10 FeNi at Earth’s Core Conditions
Pandya, N.Y.
;
Mevada, A.D.
;
Gajjar, P.N.
Article
178737248
-454388830
2022
Electronic Properties of α-Al2O3
Mostefai, Abdelkrim
Article
890326447
786395687
2018
Electronics Properties of Monoclinic HfO2
Abdelkrim, Mostefai
;
Smail, Berrah
;
Hamza, Abid
Article
1751221076
-2085273834
2015
First Principle Study of Uranium Nitrides UN and UN2 Using DFT and DFT + U
Zergoug, T.
;
Abaidia, S.E.H.
;
Nedjar, A.
Article
1192077634
126273278
2020
First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure
Yagoub, R.
;
Hadjfatah, A.
;
Louhibi-Fasla, S.
;
Daoud, S.
;
Bahlouli, S.
;
Haichour, A.
;
Zegadi, C.
Article
1888919411
-294918275
2020
Hydrogen Adsorption on Li+ and Na+ Decorated Coronene and Corannulene: DFT, SAPT0, and IGM Study
Petrushenko, I.K.
Article
109269315
26821107
2021
Hydrogen Physisorption on BNC Heterostructures: A Systematic Theoretical Study
Bogdanovich, D.V.
;
Tsar'kova, A.I.
;
Petrushenko, I.K.
Article
-719224532
-2024568516
2021
Lattice Dynamic and Thermophysical Properties of AlSi (Silumine) Alloy: A DFT Study
Suthar, R.K.
;
Pandya, N.Y.
;
Mevada, Adwait D.
;
Gajjar, P.N.
Article
-341253108
-866713077
2013
Nanotube Connections in Bilayer Graphene with Elongated Holes
Chernozatonskii, L.A.
;
Demin, V.A.
Conference Papers
62940860
40933116
2018
Physical Adsorption of N-containing Heterocycles on Hexagonal Boron Nitride: DFT-D3 Study
Petrushenko, I.K.
Article
196360666
511077553
2020
The Physicochemical Characteristics of Silicon-Germanium Nanoclusters
Zitouni, I.
;
Aiadi, K.E.
;
Bentouila, O.
;
Benaida, M.
;
Bouguettaia, H.
;
Ayat, Z.
Article
513492739
993827448
2020
Simple Thiophene Based Organic Dyes as Active Photosensitizers for DSSC Application: from Molecular Design to Structure Property Relationship
Keremane, Kavya S.
;
Naik, Praveen
;
Adhikari, Airody Vasudeva
Article
1232339177
734911814
2019
Simulation of Spherical Metal Nanoclusters Containing Monovacancy
Reva, V.I.
;
Vasylenko, O.V.
;
Pogosov, V.V.
Article
12165258
6900402
2019
Single-walled Boron Nitride Pores as Media for Hydrogen Storage: DFT and IGM Study
Petrushenko, I.K.
Article
250108849
55540879
Current filters:
×
Sort by:
submit date
issue year
title
In order:
Ascending
Descending
Results/Page
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
Jump to a point in the index: