Du AJ - Search Results

1

The effect of Fe doping on adsorption of CO2/N2 within carbon nanotubes: a density functional theory study with dispersion corrections.

Du AJ, Sun CH, Zhu ZH, Lu GQ, Rudolph V, Smith SC. Du AJ, et al. Nanotechnology. 2009 Sep 16;20(37):375701. doi: 10.1088/0957-4484/20/37/375701. Epub 2009 Aug 26. Nanotechnology. 2009. PMID: 19706942

2

Catalytic effects of subsurface carbon in the chemisorption of hydrogen on a Mg(0001) surface: an ab-initio study.

Du AJ, Smith SC, Yao XD, Lu GQ. Du AJ, et al. J Phys Chem B. 2006 Feb 2;110(4):1814-9. doi: 10.1021/jp055972d. J Phys Chem B. 2006. PMID: 16471750

3

Mg-based nanocomposites with high capacity and fast kinetics for hydrogen storage.

Yao X, Wu C, Du A, Lu GQ, Cheng H, Smith SC, Zou J, He Y. Yao X, et al. J Phys Chem B. 2006 Jun 22;110(24):11697-703. doi: 10.1021/jp057526w. J Phys Chem B. 2006. PMID: 16800465

4

The role of Ti as a catalyst for the dissociation of hydrogen on a Mg(0001) surface.

Du AJ, Smith SC, Yao XD, Lu GQ. Du AJ, et al. J Phys Chem B. 2005 Sep 29;109(38):18037-41. doi: 10.1021/jp052804c. J Phys Chem B. 2005. PMID: 16853316

5

First-principle study of adsorption of hydrogen on Ti-doped Mg(0001) surface.

Du AJ, Smith SC, Yao XD, Lu GQ. Du AJ, et al. J Phys Chem B. 2006 Nov 2;110(43):21747-50. doi: 10.1021/jp063286o. J Phys Chem B. 2006. PMID: 17064135

6

Hydrogen spillover mechanism on a Pd-doped Mg surface as revealed by ab initio density functional calculation.

Du AJ, Smith SC, Yao XD, Lu GQ. Du AJ, et al. J Am Chem Soc. 2007 Aug 22;129(33):10201-4. doi: 10.1021/ja0722776. Epub 2007 Jul 31. J Am Chem Soc. 2007. PMID: 17663553

7

Formation of single-walled carbon nanotube via the interaction of graphene nanoribbons: ab initio density functional calculations.

Du AJ, Smith SC, Lu GQ. Du AJ, et al. Nano Lett. 2007 Nov;7(11):3349-54. doi: 10.1021/nl071613d. Epub 2007 Oct 10. Nano Lett. 2007. PMID: 17927259

8

Metallic and carbon nanotube-catalyzed coupling of hydrogenation in magnesium.

Yao X, Wu C, Du A, Zou J, Zhu Z, Wang P, Cheng H, Smith S, Lu G. Yao X, et al. J Am Chem Soc. 2007 Dec 19;129(50):15650-4. doi: 10.1021/ja0751431. Epub 2007 Nov 23. J Am Chem Soc. 2007. PMID: 18034479

9

Computational study of methyl derivatives of ammonia borane for hydrogen storage.

Sun CH, Yao XD, Du AJ, Li L, Smith S, Lu GQ. Sun CH, et al. Among authors: du aj. Phys Chem Chem Phys. 2008 Oct 28;10(40):6104-6. doi: 10.1039/b807776b. Epub 2008 Sep 3. Phys Chem Chem Phys. 2008. PMID: 18846299

10

C-BN single-walled nanotubes from hybrid connection of BN/C nanoribbons: prediction by ab initio density functional calculations.

Du A, Chen Y, Zhu Z, Lu G, Smith SC. Du A, et al. J Am Chem Soc. 2009 Feb 11;131(5):1682-3. doi: 10.1021/ja809053x. J Am Chem Soc. 2009. PMID: 19152268

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