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Items: 1 to 20 of 45

1.

The CO oxidation mechanism on the W(111) surface and the W helical nanowire investigated by the density functional theory calculation.

Lin KH, Ju SP, Li JY, Chen HT.

Phys Chem Chem Phys. 2016 Jan 20;18(4):3322-30. doi: 10.1039/c5cp05681k.

PMID:
26750423
2.

Understanding the carbon-monoxide oxidation mechanism on ultrathin palladium nanowires: a density functional theory study.

Yang PY, Ju SP, Lai ZM, Lin JS, Hsieh JY.

Nanoscale. 2016 Jan 21;8(4):2041-5. doi: 10.1039/c5nr07323e.

PMID:
26701650
3.

Water molecular flow control with a (5,5) nanocoil switch.

Ju SP, Lin JS, Hsieh JY, Weng MH, Chen MC.

J Nanopart Res. 2013;15:1889. Epub 2013 Aug 11.

4.

A density functional theory study on the structure stability of silica nanoclusters.

Lin KH, Chen HT, Chen HL, Lin JS, Ju SP, Tseng CF, Hsu CH, Yang HW, Lin KF, Weng MH.

J Nanosci Nanotechnol. 2013 Feb;13(2):1414-7.

PMID:
23646650
5.

Density function theory study of the adsorption and dissociation of carbon monoxide on tungsten nanoparticles.

Weng MH, Ju SP, Chen HT, Chen HL, Lu JM, Lin KH, Lin JS, Hsieh JY, Yang HW.

J Nanosci Nanotechnol. 2013 Feb;13(2):1068-73.

PMID:
23646573
6.

Density function theory study on adsorption and dissociation of H2O on Pd nanowire.

Lin KH, Ju SP, Chen HL, Chen HT, Weng MH, Lin JS, Hsieh JY, Yang HW, Huang WC.

J Nanosci Nanotechnol. 2013 Feb;13(2):813-8.

PMID:
23646521
7.

Observation of the amorphous zinc oxide recrystalline process by molecular dynamics simulation.

Lin KH, Sun SJ, Ju SP, Tsai JY, Chen HT, Hsieh JY.

J Appl Phys. 2013 Feb 21;113(7):73512.

8.

Kinetics and mechanisms for the adsorption, dissociation, and diffusion of hydrogen in Ni and Ni/YSZ slabs: a DFT study.

Weng MH, Chen HT, Wang YC, Ju SP, Chang JG, Lin MC.

Langmuir. 2012 Apr 3;28(13):5596-605. doi: 10.1021/la300305m. Epub 2012 Mar 22.

PMID:
22401369
9.

Size and chain length effects on structural behaviors of biphenylcyclohexane-based liquid crystal nanoclusters by a coarse-grained model.

Liao ML, Ju SP, Chang CY, Huang WL.

J Mol Model. 2012 Jun;18(6):2321-31. doi: 10.1007/s00894-011-1254-6.

PMID:
21975541
10.

Structure-dependent mechanical properties of ultrathin zinc oxide nanowires.

Lee WJ, Chang JG, Ju SP, Weng MH, Lee CH.

Nanoscale Res Lett. 2011 Apr 20;6(1):352. doi: 10.1186/1556-276X-6-352.

11.

Tuning the electronic properties of boron nitride nanotube by mechanical uni-axial deformation: a DFT study.

Ju SP, Wang YC, Lien TW.

Nanoscale Res Lett. 2011 Feb 21;6(1):160. doi: 10.1186/1556-276X-6-160.

12.

Modeling of polyethylene, poly(l-lactide), and CNT composites: a dissipative particle dynamics study.

Wang YC, Ju SP, Huang TJ, Wang HH.

Nanoscale Res Lett. 2011 Jun 17;6:433. doi: 10.1186/1556-276X-6-433.

13.

Adsorption and dissociation of NH3 on clean and hydroxylated TiO2 rutile (110) surfaces: a computational study.

Chang JG, Chen HT, Ju SP, Chang CS, Weng MH.

J Comput Chem. 2011 Apr 30;32(6):1101-12. doi: 10.1002/jcc.21690. Epub 2010 Nov 4.

PMID:
21387336
14.

Adsorption and dissociation of the O2 on W(111) surface: a density functional theory study.

Weng MH, Hsieh JY, Ju SP, Chang JG, Chen HT, Chen HL, Lin JS, Lee WJ.

J Nanosci Nanotechnol. 2010 Nov;10(11):7196-9.

PMID:
21137896
15.

The interfacial behavior of water/PMMA thin film under normal compression.

Wang YC, Hsieh JY, Chen C, Chang JG, Lin JS, Ju SP, Wang HH, Lee WJ.

J Nanosci Nanotechnol. 2010 Nov;10(11):7075-8.

PMID:
21137868
16.

The scratch behaviors of copper bi-layers by a diamond tip: a molecular statics study.

Hsieh JY, Ju SP, Weng MH, Chiang HJ, Chang JG, Lin JS, Liao ML, Lu JM, Lee WJ.

J Nanosci Nanotechnol. 2010 Nov;10(11):7005-9.

PMID:
21137854
17.

The dynamic behavior of ethanol and water mixtures inside an Au nanotube molecule filter.

Wang YC, Ju SP.

Phys Chem Chem Phys. 2011 Jan 28;13(4):1323-31. doi: 10.1039/c0cp00090f. Epub 2010 Nov 22.

PMID:
21103485
19.
20.

Computational study on reaction mechanisms and kinetics of diazocarbene radical reaction with NO.

Li HJ, Chen HL, Chang JG, Chen HT, Wu SY, Ju SP.

J Phys Chem A. 2010 May 13;114(18):5894-901. doi: 10.1021/jp1008016.

PMID:
20394353
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