161 citations · 325 across the 12 of their papers we have counts for
12 papers
The effects of ionic liquids on the thermodynamics of H2 activation by frustrated Lewis pairs: a density functional theory study
Xiaoqing Liu, Xue Li, Xiaoqian Yao +2
Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous…
A molecular dynamics simulation study on the frustrated Lewis pairs in ionic liquids
Xiaoqing Liu, Xiaojing Wang, Tianhao Yu +2
Steric hindered frustrated Lewis pairs (FLPs) have been shown to activate hydrogen molecules, and their reactivity is strongly determined by the geometric parameters of the Lewis a…
Reaction mechanism of hydrogen activation by frustrated Lewis pairs
Lei Liu, Binit Lukose, Pablo Jaque +1
Typically, a Lewis acid and a base react with each other and form classic acid base adducts. The neutralization reaction is however prevented by the introduction of bulky substitut…
A free energy landscape of the capture of CO2 by frustrated Lewis pairs
Lei Liu, Binit Lukose, Bernd Ensing
Frustrated Lewis pairs (FLPs) are known for its ability to capture CO2. Although many FLPs have been reported experimentally and several theoretical studies have been carried out t…
The effects of halogen elements on the opening of an icosahedral B12 framework
Liang-Fa Gong, Wei Li, Edison Osorio +3
The fully halogenated or hydrogenated B12X12 (X = H, F, Cl, Br and I) clusters are confirmed to be icosahedral. On the other hand, the bare B12 cluster is shown to have a planar st…
Gated Spin Transport through an Individual Single Wall Carbon Nanotube
Bhaskar Nagabhirava, Tanesh Bansal, Gamini Sumanasekera +2
Hysteretic switching in the magnetoresistance of short-channel, ferromagnetically contacted individual single wall carbon nanotubes is observed, providing strong evidence for nanot…