Browse "Graduate school of EEWS(EEWS대학원)" by Subject PSEUDOPOTENTIALS

Showing results 1 to 8 of 8

1
Fermi energy level tuning for high performance dye sensitized solar cells using sp(2) selective nitrogen-doped carbon nanotube channels

Lee, Ga-In; Nath, Narayan Chandra Deb; Sarker, Subrata; Shin, Weon-Ho; Ahammad, A. J. Saleh; Kang, Jeung-Ku; Lee, Jae-Joon, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.14, no.15, pp.5255 - 5259, 2012-02

2
First-principles approach to the charge-transport characteristics of monolayer molecular-electronics devices: Application to hexanedithiolate devices

Kim, Yong-Hoon; Tahir-Kheli, J; Schultz, PA; Goddard, WA, PHYSICAL REVIEW B, v.73, no.23, 2006-06

3
First-principles study of the switching mechanism of [2]catenane molecular electronic devices

Kim, Yong-Hoon; Jang, SS; Jang, YH; Goddard, WA, PHYSICAL REVIEW LETTERS, v.94, no.15, 2005-04

4
Metal-independent coherent electron tunneling through polymerized fullerene chains

Lee, Ga-In; Kang, Jeung-Ku; Kim, Yong-Hoon, JOURNAL OF PHYSICAL CHEMISTRY C, v.112, no.17, pp.7029 - 7035, 2008-05

5
New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations

Kuhne, TD; Pascal, TA; Kaxiras, E; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.2, no.2, pp.105 - 113, 2011-01

6
Prediction of ultra-high ON/OFF ratio nanoelectromechanical switching from covalently-bound C-60 chains

Kim, Han Seul; Lee, Jhinhwan; Kim, Yong-Hoon, CARBON, v.67, pp.48 - 57, 2014-02

7
Tailored field-emission property of patterned carbon nitride nanotubes by a selective doping of substitutional N(sN) and pyridine-like N(pN) atoms

Zhong, Zhigang; Lee, Ga-In; Bin Mo, Chan; Hong, Soon Hyung; Kang, Jeung-Ku, CHEMISTRY OF MATERIALS, v.19, no.12, pp.2918 - 2920, 2007-06

8
The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFF(HBN) development

Han, SS; Kang, Jeung Ku; Lee, HyuckMo; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.123, no.11, pp.4381 - 4396, 2005-09

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