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Items: 1 to 20 of 132

1.

Graphene nanodots with intrinsically magnetic protrusions.

Philpott MR, Kawazoe Y.

J Chem Phys. 2012 Feb 14;136(6):064706. doi: 10.1063/1.3684900.

PMID:
22360214
2.

Magnetism and structure of graphene nanodots with interiors modified by boron, nitrogen, and charge.

Philpott MR, Kawazoe Y.

J Chem Phys. 2012 Aug 7;137(5):054715. doi: 10.1063/1.4742193.

PMID:
22894379
3.

Magnetism and bonding in graphene nanodots with H modified interior, edge, and apex.

Philpott MR, Prabhat, Kawazoe Y.

J Chem Phys. 2011 Aug 28;135(8):084707.

PMID:
22003510
4.

Edge versus interior in the chemical bonding and magnetism of zigzag edged triangular graphene molecules.

Philpott MR, Vukovic S, Kawazoe Y, Lester WA Jr.

J Chem Phys. 2010 Jul 28;133(4):044708. doi: 10.1063/1.3457673.

PMID:
20687677
5.

Edge state magnetism of single layer graphene nanostructures.

Bhowmick S, Shenoy VB.

J Chem Phys. 2008 Jun 28;128(24):244717. doi: 10.1063/1.2943678.

PMID:
18601375
6.

Bonding and magnetism in nanosized graphene molecules: Singlet states of zigzag edged hexangulenes C(6m(2) )H(6m)(m=2,3,...,10).

Philpott MR, Kawazoe Y.

J Chem Phys. 2009 Dec 7;131(21):214706. doi: 10.1063/1.3264885.

PMID:
19968359
7.

Triplet states of zigzag edged hexagonal graphene molecules C(6m∗∗2)H(6m) (m = 1, 2, 3, ..., 10) and carbon based magnetism.

Philpott MR, Kawazoe Y.

J Chem Phys. 2011 Mar 28;134(12):124706. doi: 10.1063/1.3569135.

PMID:
21456694
8.

Growth mechanism of hexagonal-shape graphene flakes with zigzag edges.

Luo Z, Kim S, Kawamoto N, Rappe AM, Johnson AT.

ACS Nano. 2011 Nov 22;5(11):9154-60. doi: 10.1021/nn203381k. Epub 2011 Oct 20.

PMID:
21999584
9.

Accurate prediction of the electronic properties of low-dimensional graphene derivatives using a screened hybrid density functional.

Barone V, Hod O, Peralta JE, Scuseria GE.

Acc Chem Res. 2011 Apr 19;44(4):269-79. doi: 10.1021/ar100137c. Epub 2011 Mar 9.

PMID:
21388164
10.

First principles study of magnetism in nanographenes.

Jiang DE, Sumpter BG, Dai S.

J Chem Phys. 2007 Sep 28;127(12):124703.

PMID:
17902927
11.

Magnetism and perfect spin filtering effect in graphene nanoflakes.

Sheng W, Ning ZY, Yang ZQ, Guo H.

Nanotechnology. 2010 Sep 24;21(38):385201. doi: 10.1088/0957-4484/21/38/385201. Epub 2010 Aug 26.

PMID:
20739743
12.

Magnetism in graphene nanoislands.

Fernández-Rossier J, Palacios JJ.

Phys Rev Lett. 2007 Oct 26;99(17):177204. Epub 2007 Oct 23.

PMID:
17995364
13.

Electronic ground state of higher acenes.

Jiang DE, Dai S.

J Phys Chem A. 2008 Jan 17;112(2):332-5. Epub 2007 Dec 18.

PMID:
18085758
14.

Understanding and tuning the quantum-confinement effect and edge magnetism in zigzag graphene nanoribbon.

Huang LF, Zhang GR, Zheng XH, Gong PL, Cao TF, Zeng Z.

J Phys Condens Matter. 2013 Feb 6;25(5):055304. doi: 10.1088/0953-8984/25/5/055304. Epub 2013 Jan 8.

PMID:
23300171
15.

Energy gaps in graphene nanoribbons.

Son YW, Cohen ML, Louie SG.

Phys Rev Lett. 2006 Nov 24;97(21):216803. Epub 2006 Nov 22. Erratum in: Phys Rev Lett. 2007 Feb 23;98(8):089901.

PMID:
17155765
16.

Dots versus antidots: computational exploration of structure, magnetism, and half-metallicity in boron-nitride nanostructures.

Du A, Chen Y, Zhu Z, Amal R, Lu GQ, Smith SC.

J Am Chem Soc. 2009 Dec 2;131(47):17354-9. doi: 10.1021/ja9071942.

PMID:
19929022
17.

Quenching of local magnetic moment in oxygen adsorbed graphene nanoribbons.

Veiga RG, Miwa RH, Srivastava GP.

J Chem Phys. 2008 May 28;128(20):201101. doi: 10.1063/1.2937453.

PMID:
18513000
18.

Configuration-dependent electronic and magnetic properties of graphene monolayers and nanoribbons functionalized with aryl groups.

Tian X, Gu J, Xu JB.

J Chem Phys. 2014 Jan 28;140(4):044712. doi: 10.1063/1.4862821.

PMID:
25669572
19.

Nitrogen/boron doping position dependence of the electronic properties of a triangular graphene.

Yu S, Zheng W, Wang C, Jiang Q.

ACS Nano. 2010 Dec 28;4(12):7619-29. doi: 10.1021/nn102369r. Epub 2010 Nov 19.

PMID:
21090583
20.

Two-dimensional Kagome phosphorus and its edge magnetism: a density functional theory study.

Yu G, Jiang L, Zheng Y.

J Phys Condens Matter. 2015 Jul 1;27(25):255006. doi: 10.1088/0953-8984/27/25/255006. Epub 2015 May 28.

PMID:
26020446

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