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Items: 1 to 20 of 93

1.

Detection of hydrogen using graphene.

Ehemann RC, Krstić PS, Dadras J, Kent PR, Jakowski J.

Nanoscale Res Lett. 2012 Mar 23;7:198. doi: 10.1186/1556-276X-7-198.

2.

Adsorption of Mn atom on pristine and defected graphene: a density functional theory study.

Anithaa VS, Shankar R, Vijayakumar S.

J Mol Model. 2017 Apr;23(4):132. doi: 10.1007/s00894-017-3300-5. Epub 2017 Mar 23.

PMID:
28337679
3.

Quantum Monte Carlo investigations of adsorption energetics on graphene.

Hsing CR, Wei CM, Chou MY.

J Phys Condens Matter. 2012 Oct 3;24(39):395002. doi: 10.1088/0953-8984/24/39/395002. Epub 2012 Aug 22.

PMID:
22909778
4.

Modified morphology of graphene sheets by Argon-atom bombardment: molecular dynamics simulations.

Wei XL, Zhang KW, Wang RZ, Liu WL, Zhong JX.

J Nanosci Nanotechnol. 2011 Dec;11(12):10863-7.

PMID:
22409013
5.

Understanding adsorption of hydrogen atoms on graphene.

Casolo S, Løvvik OM, Martinazzo R, Tantardini GF.

J Chem Phys. 2009 Feb 7;130(5):054704. doi: 10.1063/1.3072333.

PMID:
19206986
6.

A DFT study of halogen atoms adsorbed on graphene layers.

Medeiros PV, Mascarenhas AJ, de Brito Mota F, de Castilho CM.

Nanotechnology. 2010 Dec 3;21(48):485701. doi: 10.1088/0957-4484/21/48/485701. Epub 2010 Nov 10.

PMID:
21063056
7.

Structural and electronic properties of hydrogen adsorptions on BC₃ sheet and graphene: a comparative study.

Chuang FC, Huang ZQ, Lin WH, Albao MA, Su WS.

Nanotechnology. 2011 Apr 1;22(13):135703. doi: 10.1088/0957-4484/22/13/135703. Epub 2011 Feb 22.

PMID:
21343638
8.

Insights into hydrogen atom adsorption on and the electrochemical properties of nitrogen-substituted carbon materials.

Zhu ZH, Hatori H, Wang SB, Lu GQ.

J Phys Chem B. 2005 Sep 8;109(35):16744-9.

PMID:
16853132
9.

A first-principles study of lithium adsorption on a graphene-fullerene nanohybrid system.

Koh W, Moon HS, Lee SG, Choi JI, Jang SS.

Chemphyschem. 2015 Mar 16;16(4):789-95. doi: 10.1002/cphc.201402675. Epub 2014 Dec 23.

PMID:
25536921
10.

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

Bonfanti M, Jackson B, Hughes KH, Burghardt I, Martinazzo R.

J Chem Phys. 2015 Sep 28;143(12):124703. doi: 10.1063/1.4931116.

11.

Novel behavior of monolayer quantum gases on graphene, graphane and fluorographene.

Reatto L, Galli DE, Nava M, Cole MW.

J Phys Condens Matter. 2013 Nov 6;25(44):443001. doi: 10.1088/0953-8984/25/44/443001. Epub 2013 Oct 10. Review.

PMID:
24113280
12.

Magnetism and Interaction-Induced Gap Opening in Graphene with Vacancies or Hydrogen Adatoms: Quantum Monte Carlo Study.

Ulybyshev MV, Katsnelson MI.

Phys Rev Lett. 2015 Jun 19;114(24):246801. Epub 2015 Jun 15.

PMID:
26196994
13.

Thermodynamics of hydrogen adsorption in slit-like carbon nanopores at 77 K. Classical versus path-integral Monte Carlo simulations.

Kowalczyk P, Gauden PA, Terzyk AP, Bhatia SK.

Langmuir. 2007 Mar 27;23(7):3666-72. Epub 2007 Feb 27.

PMID:
17323981
14.

Enhancement of hydrogen physisorption on graphene and carbon nanotubes by Li doping.

Cabria I, López MJ, Alonso JA.

J Chem Phys. 2005 Nov 22;123(20):204721.

PMID:
16351307
15.

Enhanced hydrogen sensing properties of graphene by introducing a mono-atom-vacancy.

Jiang QG, Ao ZM, Zheng WT, Li S, Jiang Q.

Phys Chem Chem Phys. 2013 Dec 28;15(48):21016-22. doi: 10.1039/c3cp52976b.

PMID:
24217016
16.

Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations.

Ma J, Michaelides A, Alfè D.

J Chem Phys. 2011 Apr 7;134(13):134701. doi: 10.1063/1.3569134.

PMID:
21476763
17.

Hydrogen adsorption on boron doped graphene: an ab initio study.

Miwa RH, Martins TB, Fazzio A.

Nanotechnology. 2008 Apr 16;19(15):155708. doi: 10.1088/0957-4484/19/15/155708. Epub 2008 Mar 12.

PMID:
21825632
18.

Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of Nanomaterials.

Garashchuk S, Jakowski J, Wang L, Sumpter BG.

J Chem Theory Comput. 2013 Dec 10;9(12):5221-35. doi: 10.1021/ct4006147. Epub 2013 Nov 26.

PMID:
26592262
19.
20.

4He on a single graphene sheet.

Gordillo MC, Boronat J.

Phys Rev Lett. 2009 Feb 27;102(8):085303. Epub 2009 Feb 27.

PMID:
19257750

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