270 related articles for article (PubMed ID: 29306744)
1. The selective adsorption of formaldehyde and methanol over Al- or Si-decorated graphene oxide: A DFT study.
Esrafili MD; Dinparast L
J Mol Graph Model; 2018 Mar; 80():25-31. PubMed ID: 29306744
[TBL] [Abstract][Full Text] [Related]
2. A comparative theoretical study of CO oxidation reaction by O2 molecule over Al- or Si-decorated graphene oxide.
Esrafili MD; Sharifi F; Nematollahi P
J Mol Graph Model; 2016 Sep; 69():8-16. PubMed ID: 27525814
[TBL] [Abstract][Full Text] [Related]
3. Enhanced adsorption of acidic gases (CO2, NO2 and SO2) on light metal decorated graphene oxide.
Chen C; Xu K; Ji X; Miao L; Jiang J
Phys Chem Chem Phys; 2014 Jun; 16(22):11031-6. PubMed ID: 24777197
[TBL] [Abstract][Full Text] [Related]
4. Li and Na Adsorption on Graphene and Graphene Oxide Examined by Density Functional Theory, Quantum Theory of Atoms in Molecules, and Electron Localization Function.
Dimakis N; Salas I; Gonzalez L; Vadodaria O; Ruiz K; Bhatti MI
Molecules; 2019 Feb; 24(4):. PubMed ID: 30791506
[TBL] [Abstract][Full Text] [Related]
5. Adsorption of nitrogen oxides on graphene and graphene oxides: insights from density functional calculations.
Tang S; Cao Z
J Chem Phys; 2011 Jan; 134(4):044710. PubMed ID: 21280788
[TBL] [Abstract][Full Text] [Related]
6. Reversible hydrogen adsorption on Li-decorated T-graphene flake: The effect of electric field.
Saedi L; Alipour E; Javanshir Z; Vahabi V
J Mol Graph Model; 2019 Mar; 87():192-196. PubMed ID: 30553159
[TBL] [Abstract][Full Text] [Related]
7. A large gap opening of graphene induced by the adsorption of CO on the Al-doped site.
Peyghan AA; Noei M; Tabar MB
J Mol Model; 2013 Aug; 19(8):3007-14. PubMed ID: 23564329
[TBL] [Abstract][Full Text] [Related]
8. Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction.
Chen Y; Gao B; Zhao JX; Cai QH; Fu HG
J Mol Model; 2012 May; 18(5):2043-54. PubMed ID: 21881853
[TBL] [Abstract][Full Text] [Related]
9. Interaction of nucleobases with silicon doped and defective silicon doped graphene and optical properties.
Mudedla SK; Balamurugan K; Kamaraj M; Subramanian V
Phys Chem Chem Phys; 2016 Jan; 18(1):295-309. PubMed ID: 26607270
[TBL] [Abstract][Full Text] [Related]
10. A DFT-D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe
Jogender ; Badhani B; Mandeep ; Kakkar R
J Mol Graph Model; 2020 Dec; 101():107754. PubMed ID: 32966915
[TBL] [Abstract][Full Text] [Related]
11. Tuning the field emission and electronic properties of silicon nanocones by Al and P doping: DFT studies.
Saedi L; Maskanati M; Modheji M; Soleymanabadi H
J Mol Graph Model; 2018 May; 81():168-174. PubMed ID: 29558668
[TBL] [Abstract][Full Text] [Related]
12. Graphene oxide as efficient high-concentration formaldehyde scavenger and reutilization in supercapacitor.
Liang H; Bu Y; Zhang Y; Zhang J
J Colloid Interface Sci; 2015 Apr; 444():109-14. PubMed ID: 25590697
[TBL] [Abstract][Full Text] [Related]
13. Assessment of the chitosan-functionalized graphene oxide as a carrier for loading thioguanine, an antitumor drug and effect of urea on adsorption process: Combination of DFT computational and molecular dynamics simulation studies.
Hasanzade Z; Raissi H
J Biomol Struct Dyn; 2019 Jul; 37(10):2487-2497. PubMed ID: 30052134
[TBL] [Abstract][Full Text] [Related]
14. Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation.
Kamel M; Raissi H; Hashemzadeh H; Mohammadifard K
Amino Acids; 2020 Oct; 52(10):1465-1478. PubMed ID: 33098474
[TBL] [Abstract][Full Text] [Related]
15. Can Si-doped graphene activate or dissociate O2 molecule?
Chen Y; Yang XC; Liu YJ; Zhao JX; Cai QH; Wang XZ
J Mol Graph Model; 2013 Feb; 39():126-32. PubMed ID: 23261882
[TBL] [Abstract][Full Text] [Related]
16. Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study.
Azam MA; Alias FM; Tack LW; Seman RNAR; Taib MFM
J Mol Graph Model; 2017 Aug; 75():85-93. PubMed ID: 28531817
[TBL] [Abstract][Full Text] [Related]
17. Investigating the structure of the product of graphene oxide reaction with folic acid and chitosan: density functional theory calculations.
Hosseini SM; Soltanabadi A; Abdouss M; Mazinani S
J Biomol Struct Dyn; 2022; 40(24):14146-14159. PubMed ID: 34791994
[TBL] [Abstract][Full Text] [Related]
18. The Active Molybdenum Oxide Phase in the Methanol Oxidation to Formaldehyde (Formox Process): A DFT Study.
Rellán-Piñeiro M; López N
ChemSusChem; 2015 Jul; 8(13):2231-9. PubMed ID: 26083992
[TBL] [Abstract][Full Text] [Related]
19. Atomic simulation of adsorption of SO
Karami Z; Hamed Mashhadzadeh A; Habibzadeh S; Ganjali MR; Ghardi EM; Hasnaoui A; Vatanpour V; Sharma G; Esmaeili A; Stadler FJ; Saeb MR
J Mol Model; 2021 Feb; 27(3):70. PubMed ID: 33543346
[TBL] [Abstract][Full Text] [Related]
20. Enhanced role of Al or Ga-doped graphene on the adsorption and dissociation of N2O under electric field.
Lv YA; Zhuang GL; Wang JG; Jia YB; Xie Q
Phys Chem Chem Phys; 2011 Jul; 13(27):12472-7. PubMed ID: 21660330
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
