http://chineseinput.net/에서 pinyin(병음)방식으로 중국어를 변환할 수 있습니다.
변환된 중국어를 복사하여 사용하시면 됩니다.
- 中文 을 입력하시려면 zhongwen을 입력하시고 space를누르시면됩니다.
- 北京 을 입력하시려면 beijing을 입력하시고 space를 누르시면 됩니다.
RISS 인기검색어
- 검색키워드
- 저자 : Arindam Sannyal (검색결과 3 건)
- 무료
- 기관 내 무료
- 유료
-
Sannyal, Arindam,Zhang, Zhengqing,Gao, Xingfa,Jang, Joonkyung Elsevier 2018 Computational materials science Vol.154 No.-
<P><B>Abstract</B></P> <P>Recently, two-dimensional layered materials have come forth as encouraging candidates for advanced electronic and optoelectronic applications. Anode materials with high energy-density and diffusion rate are fundamental features for the development of non-lithium ion batteries. Based on the density functional theory calculations, we propose a two-dimensional (2D) sheet of germanium selenide (GeSe) as a promising anode material for a sodium (Na) or potassium (K) ion battery. The phonon dispersion and formation energy verify the dynamic and thermal stability of the GeSe sheet. A substantial charge transfer from the alkali metal atoms to the GeSe sheet enhances the electrical conductivity of GeSe, favorable for an anode material. The Na or K diffusion on the GeSe sheet has a low energy barrier of 0.10 eV, giving a rapid charge/discharge rate without metal clustering. The GeSe sheet has a high theoretical capacity for both Na (707 mA h g<SUP>−1</SUP>) and K (530 mA h g<SUP>−1</SUP>) ion batteries. The GeSe sheet also gives a low and stable electrode potential comparable to that of a commercial anode material.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Strong adsorption of the metal atoms prevents the metal clustering. </LI> <LI> Significant charge transfer changes the semiconducting GeSe into metallic. </LI> <LI> Alkali metal diffusion on the germanium selenide monolayer is anisotropic. </LI> <LI> The open circuit voltages are in the ranges of other commercial anode materials. </LI> <LI> The 2D germanium selenide gives very high capacity for Na-ion and K-ion batteries. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
-
Thermal Effect on Positive Patterned Self‐Assembled Monolayer Grown from a Droplet of Alkanethiol
Sannyal, Arindam,Jang, Joonkyung,Shajahan, Md.,Saha, Joyanta K. John WileySons, Inc. 2019 Journal of computational chemistry Vol.40 No.30
<P>Atomic force microscope technique is widely used for the spatial narrow deposition of molecules inside the bare space of preexisting self‐assembled monolayer (SAM) matrix. Using molecular dynamics simulation, we studied the formation of positively patterned SAM from a globule of 1‐octadecanethiol (ODT) on predesigned SAM matrix of 1‐dodecanethiol (DDT) and effect of temperature on it. The alkyl chains of ODT SAM were densely packed and ordered by means of chemisorption through sulfur atoms. The circular SAM of ODT contained defects due to the molecules those were standing upside down or trapped inside ODT SAM. We found that with the increase of temperature, these defects moved out by flipping of inverted ODT molecules or building spaces to be adsorbed on Au surface. The ODT molecules on the top of the pile of stable circular SAM or those are upside down and trapped disperse in a unique fashion namely serial pushing through which molecules firstly make a free space to enter inside the adsorbed thiol molecules and then push neighboring molecules to get enough space to be adsorbed on the gold surface. The stability of ODT SAM was confirmed by analyzing different structural properties such as tilt angle, tilt orientation. and backbone orientation. We also calculated the diffusion coefficient of the ODT molecules which were on the top of SAM island. © 2019 Wiley Periodicals, Inc.</P>
-
Effects of Temperature and Chain Length on the Nanoscale Islands of Alkanethiol Monolayers
Joyanta K. Saha,Arindam Sannyal,Sharif Md. Khan,장준경 대한화학회 2017 Bulletin of the Korean Chemical Society Vol.38 No.7
The thermal effect on the stability of nanoscale islands of alkanethiols on a gold (111) surface was examined using molecular dynamics simulation. To examine the chain length and temperature dependence, islands made of alkanethiols containing 16, 20, and 24 carbon atoms were simulated at 313–343 K. By analyzing the tilt angle, conformation, orientational order, and backbone plane orientation of alkyl chains, the minimum diameters for stable islands made of 1-hexadecanethiol, 1-ecosanethiol, and 1-tetracosanethiol were determined for different temperatures (313–343 K). These results provide a useful guideline for patterning nanopatterns of thiol by soft nanolithography.
연관 검색어 추천
이 검색어로 많이 본 자료
활용도 높은 자료
