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Items: 1 to 20 of 103

1.

Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes.

Ruiz-Soria G, PĂ©rez Paz A, Sauer M, Mowbray DJ, Lacovig P, Dalmiglio M, Lizzit S, Yanagi K, Rubio A, Goldoni A, Ayala P, Pichler T.

ACS Nano. 2014 Feb 25;8(2):1375-83. doi: 10.1021/nn405114z. Epub 2014 Jan 13.

2.

First-principles calculations of nickel, cadmium, and lead adsorption on a single-walled (10,0) carbon nanotube.

Bastos M, Camps I.

J Mol Model. 2014 Feb;20(2):2094. doi: 10.1007/s00894-014-2094-y. Epub 2014 Feb 11.

PMID:
24515718
3.

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. doi: 10.1016/j.jmgm.2017.05.003. Epub 2017 May 5.

PMID:
28531817
4.

Effect of the adsorption of oxygen on electronic structures and geometrical parameters of armchair single-wall carbon nanotubes: a density functional study.

Rafati AA, Hashemianzadeh SM, Nojini ZB.

J Colloid Interface Sci. 2009 Aug 1;336(1):1-12. doi: 10.1016/j.jcis.2009.03.021. Epub 2009 Mar 31.

PMID:
19394629
5.
6.

First-principles calculations of carbon nanotubes adsorbed on Si(001).

Orellana W, Miwa RH, Fazzio A.

Phys Rev Lett. 2003 Oct 17;91(16):166802. Epub 2003 Oct 16.

PMID:
14611426
7.

Amine basicity (pKb) controls the analyte binding energy on single walled carbon nanotube electronic sensor arrays.

Lee CY, Strano MS.

J Am Chem Soc. 2008 Feb 6;130(5):1766-73. doi: 10.1021/ja0776069. Epub 2008 Jan 12.

PMID:
18189400
8.

Can Silicon Carbide Nanotubes Sense Carbon Dioxide?

Zhao JX, Ding YH.

J Chem Theory Comput. 2009 Apr 14;5(4):1099-105. doi: 10.1021/ct9000069. Epub 2009 Mar 5.

PMID:
26609620
9.

Ozone adsorption on carbon nanotubes: the role of Stone-Wales defects.

Picozzi S, Santucci S, Lozzi L, Valentini L, Delley B.

J Chem Phys. 2004 Apr 15;120(15):7147-52.

PMID:
15267620
10.

Chirality- and diameter-dependent reactivity of NO2 on carbon nanotube walls.

Seo K, Park KA, Kim C, Han S, Kim B, Lee YH.

J Am Chem Soc. 2005 Nov 16;127(45):15724-9.

PMID:
16277513
11.

Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes.

Lozzi I, Picozzi S, Armentano L, Valentini L, Kenny JM, La Rosa S, Coreno M, de Simone M, Delley B, Santucci S.

J Chem Phys. 2005 Jul 15;123(3):34702.

PMID:
16080750
12.
13.

Oxygen adsorption characteristics on hybrid carbon and boron-nitride nanotubes.

Liu H, Turner CH.

J Comput Chem. 2014 May 30;35(14):1058-63. doi: 10.1002/jcc.23589. Epub 2014 Mar 23.

PMID:
24659221
14.

Adsorption properties of nitrogen dioxide on hybrid carbon and boron-nitride nanotubes.

Liu H, Turner CH.

Phys Chem Chem Phys. 2014 Nov 7;16(41):22853-60. doi: 10.1039/c4cp03555k.

PMID:
25242148
15.

Electronic properties and reactivity of Pt-doped carbon nanotubes.

Tian WQ, Liu LV, Wang YA.

Phys Chem Chem Phys. 2006 Aug 14;8(30):3528-39. Epub 2006 May 19.

PMID:
16871342
16.
17.

Physisorption, Diffusion, and Chemisorption Pathways of H2 Molecule on Graphene and on (2,2) Carbon Nanotube by First Principles Calculations.

Costanzo F, Silvestrelli PL, Ancilotto F.

J Chem Theory Comput. 2012 Apr 10;8(4):1288-94. doi: 10.1021/ct300143a. Epub 2012 Mar 26.

PMID:
26596745
18.

Boosting sensitivity of boron nitride nanotube (BNNT) to nitrogen dioxide by Fe encapsulation.

Zhang YQ, Liu YJ, Liu YL, Zhao JX.

J Mol Graph Model. 2014 Jun;51:1-6. doi: 10.1016/j.jmgm.2014.04.005. Epub 2014 Apr 18.

PMID:
24837498
19.

Noncovalent and covalent functionalization of a (5, 0) single-walled carbon nanotube with alanine and alanine radicals.

Rajarajeswari M, Iyakutti K, Kawazoe Y.

J Mol Model. 2012 Feb;18(2):771-81. doi: 10.1007/s00894-011-1115-3. Epub 2011 May 20.

PMID:
21594759
20.

Half-metallic properties of single-walled polymeric manganese phthalocyanine nanotubes.

Jiang H, Bai M, Wei P, Sun L, Shen Z, Hou S.

Sensors (Basel). 2012;12(7):8438-46. Epub 2012 Jun 25.

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