Fourier transform microwave spectroscopy of the Rg–SH(2Πi) complexes (Rg:Ne, Kr): Determination of the intermolecular potential energy surfaces

2004 ◽  
Vol 120 (15) ◽  
pp. 6935-6943 ◽  
Author(s):  
Kohsuke Suma ◽  
Yoshihiro Sumiyoshi ◽  
Yasuki Endo
2014 ◽  
Vol 140 (10) ◽  
pp. 104310 ◽  
Author(s):  
Chisato Niida ◽  
Masakazu Nakajima ◽  
Yoshihiro Sumiyoshi ◽  
Yasuhiro Ohshima ◽  
Hiroshi Kohguchi ◽  
...  

2001 ◽  
Vol 114 (2) ◽  
pp. 764 ◽  
Author(s):  
Garold Murdachaew ◽  
Alston J. Misquitta ◽  
Robert Bukowski ◽  
Krzysztof Szalewicz

Author(s):  
Pham Trong Lam ◽  
Ta Thi Luong ◽  
Vo Van On ◽  
An Dinh Van

In this work, we investigated the adsorption mechanism of acetone and toluene on the surface of silicene by the quantum simulation method. The images of the potential energy surfaces for different positions of the adsorbate on the silicene surface were explored by Computational DFT-based Nanoscope tool for determination of the most stable configurations and diffusion possibilities. The charge transfer in order of 0.2 – 0.3 electrons and the tunneling gap opening of 18 – 23 meV due to acetone and toluene, respectively, suggest that silicene is considerably sensitive with these VOCs and can be used as the material in the fabrication of reusable VOC sensors.


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