Page AJ - Search Results

1

Template effect in the competition between Haeckelite and graphene growth on Ni(111): quantum chemical molecular dynamics simulations.

Wang Y, Page AJ, Nishimoto Y, Qian HJ, Morokuma K, Irle S. Wang Y, et al. Among authors: page aj. J Am Chem Soc. 2011 Nov 23;133(46):18837-42. doi: 10.1021/ja2064654. Epub 2011 Oct 27. J Am Chem Soc. 2011. PMID: 21967405

2

Quantum chemical molecular dynamics simulation of single-walled carbon nanotube cap nucleation on an iron particle.

Ohta Y, Okamoto Y, Page AJ, Irle S, Morokuma K. Ohta Y, et al. Among authors: page aj. ACS Nano. 2009 Nov 24;3(11):3413-20. doi: 10.1021/nn900784f. ACS Nano. 2009. PMID: 19827761

3

Mechanisms of single-walled carbon nanotube nucleation, growth, and healing determined using QM/MD methods.

Page AJ, Ohta Y, Irle S, Morokuma K. Page AJ, et al. Acc Chem Res. 2010 Oct 19;43(10):1375-85. doi: 10.1021/ar100064g. Acc Chem Res. 2010. PMID: 20954752

4

QM/MD simulation of SWNT nucleation on transition-metal carbide nanoparticles.

Page AJ, Yamane H, Ohta Y, Irle S, Morokuma K. Page AJ, et al. J Am Chem Soc. 2010 Nov 10;132(44):15699-707. doi: 10.1021/ja106264q. J Am Chem Soc. 2010. PMID: 20961094

5

SWNT nucleation from carbon-coated SiO2 nanoparticles via a vapor-solid-solid mechanism.

Page AJ, Chandrakumar KR, Irle S, Morokuma K. Page AJ, et al. J Am Chem Soc. 2011 Jan 26;133(3):621-8. doi: 10.1021/ja109018h. Epub 2010 Dec 10. J Am Chem Soc. 2011. PMID: 21142071

6

Thermal annealing of SiC nanoparticles induces SWNT nucleation: evidence for a catalyst-independent VSS mechanism.

Page AJ, Chandrakumar KR, Irle S, Morokuma K. Page AJ, et al. Phys Chem Chem Phys. 2011 Sep 14;13(34):15673-80. doi: 10.1039/c1cp21236b. Epub 2011 Jul 25. Phys Chem Chem Phys. 2011. PMID: 21789319

7

Theoretical insights into chirality-controlled SWCNT growth from a cycloparaphenylene template.

Li HB, Page AJ, Irle S, Morokuma K. Li HB, et al. Among authors: page aj. Chemphyschem. 2012 Apr 23;13(6):1479-85. doi: 10.1002/cphc.201200055. Epub 2012 Mar 5. Chemphyschem. 2012. PMID: 22392905

8

Dynamics of local chirality during SWCNT growth: armchair versus zigzag nanotubes.

Kim J, Page AJ, Irle S, Morokuma K. Kim J, et al. Among authors: page aj. J Am Chem Soc. 2012 Jun 6;134(22):9311-9. doi: 10.1021/ja301299t. Epub 2012 May 22. J Am Chem Soc. 2012. PMID: 22571240

9

Sub-surface nucleation of graphene precursors near a Ni(111) step-edge.

Li HB, Page AJ, Wang Y, Irle S, Morokuma K. Li HB, et al. Among authors: page aj. Chem Commun (Camb). 2012 Aug 18;48(64):7937-9. doi: 10.1039/c2cc32995f. Epub 2012 Jul 5. Chem Commun (Camb). 2012. PMID: 22763640

10

Single-walled carbon nanotube growth from chiral carbon nanorings: prediction of chirality and diameter influence on growth rates.

Li HB, Page AJ, Irle S, Morokuma K. Li HB, et al. Among authors: page aj. J Am Chem Soc. 2012 Sep 26;134(38):15887-96. doi: 10.1021/ja305769v. Epub 2012 Sep 14. J Am Chem Soc. 2012. PMID: 22928987

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