Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Shuhei Inoue, Supanat Lojindarat, Takahiro Kawamoto, Yukihiko Matsumura, Tawatchai Charinpanitkul In this study, we explored the spontaneous and controlled-diameter growth of carbon nanotubes. We evaluated the effects of catalyst density, reduction time,...

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Yu Wang, Chia-Chun Chou The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative...

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): Rajko Ćosić, František Karlický, René Kalus Photoabsorption cross-sections have been calculated for HeN+ clusters of selected sizes (N=3,4,10) over a broad range of photon energies (Ephot=2-14 eV) and compared with available experimental data. Semiempirical...

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Kamalesh Pal, Rajkumar Jana, Arka Dey, Partha P. Ray, Md Motin Seikh, Arup Gayen We report the synthesis of nanosized (40–50 nm) CaCu3-xMnxTi4-xMnxO12 (x = 0, 0.5 and 1) quadruple perovskite (QP) semiconductor via a modified combustion method for use as...

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): Tayebeh Movlarooy, Mahboobeh Amiri Fadradi The adsorption of CNCl gas, on the surface of boron nitride nanotubes in pure form, as well as doped with Al and Ga, based on the density functional theory (DFT) has been studied. The electron and structural properties...

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Theophile Niyitanga, Hae Kyung Jeong Molybdenum disulfide is a promising catalyst to replace the expensive platinum as an electrocatalyst but needs to be modified to present excellent electrocatalytic properties. Herein, we successfully modify molybdenum disulfide...