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3,258 results

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Page 1

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. Barone V, et al. Acc Chem Res. 2011 Apr 19;44(4):269-79. doi: 10.1021/ar100137c. Epub 2011 Mar 9. Acc Chem Res. 2011. PMID: 21388164

Half metallicity and electronic structures in armchair BCN-hybrid nanoribbons.

Liu ZM, Zhu Y, Yang ZQ. Liu ZM, et al. J Chem Phys. 2011 Feb 21;134(7):074708. doi: 10.1063/1.3553257. J Chem Phys. 2011. PMID: 21341870

Spin polarized conductance in hybrid graphene nanoribbons using 5-7 defects.

Botello-Méndez AR, Cruz-Silva E, López-Urías F, Sumpter BG, Meunier V, Terrones M, Terrones H. Botello-Méndez AR, et al. ACS Nano. 2009 Nov 24;3(11):3606-12. doi: 10.1021/nn900614x. ACS Nano. 2009. PMID: 19863086

Half-metallic graphene nanoribbons.

Son YW, Cohen ML, Louie SG. Son YW, et al. Nature. 2006 Nov 16;444(7117):347-9. doi: 10.1038/nature05180. Nature. 2006. PMID: 17108960

Prediction of very large values of magnetoresistance in a graphene nanoribbon device.

Kim WY, Kim KS. Kim WY, et al. Nat Nanotechnol. 2008 Jul;3(7):408-12. doi: 10.1038/nnano.2008.163. Epub 2008 Jun 15. Nat Nanotechnol. 2008. PMID: 18654564

Carbon-doped zigzag boron nitride nanoribbons with widely tunable electronic and magnetic properties: insight from density functional calculations.

Tang S, Cao Z. Tang S, et al. Phys Chem Chem Phys. 2010 Mar 14;12(10):2313-20. doi: 10.1039/b920754f. Epub 2010 Jan 21. Phys Chem Chem Phys. 2010. PMID: 20449344 Free article.

From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges.

Sun L, Wei P, Wei J, Sanvito S, Hou S. Sun L, et al. J Phys Condens Matter. 2011 Oct 26;23(42):425301. doi: 10.1088/0953-8984/23/42/425301. Epub 2011 Oct 3. J Phys Condens Matter. 2011. PMID: 21969127

A guide to the design of electronic properties of graphene nanoribbons.

Yazyev OV. Yazyev OV. Acc Chem Res. 2013 Oct 15;46(10):2319-28. doi: 10.1021/ar3001487. Acc Chem Res. 2013. PMID: 23282074

Quenching of local magnetic moment in oxygen adsorbed graphene nanoribbons.

Veiga RG, Miwa RH, Srivastava GP. Veiga RG, et al. J Chem Phys. 2008 May 28;128(20):201101. doi: 10.1063/1.2937453. J Chem Phys. 2008. PMID: 18513000

Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional.

Heyd J, Scuseria GE. Heyd J, et al. J Chem Phys. 2004 Jul 15;121(3):1187-92. doi: 10.1063/1.1760074. J Chem Phys. 2004. PMID: 15260659

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