471 citations · 1.5k across the 9 of their papers we have counts for
9 papers
Interfacial Ionic Liquids: Connecting Static and Dynamic Structures
Ahmet Uysal, Hua Zhou, Guang Feng +8
It is well-known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e., with alternating cation- and anion-rich layers, at electrified…
Aqueous Proton Transfer Across Single Layer Graphene
Jennifer L. Achtyl, Raymond R. Unocic, Lijun Xu +12
Proton transfer across single layer graphene is associated with large computed energy barriers and is therefore thought to be unfavorable at room temperature unless nanoscale holes…
Windowed Carbon Nanotubes for Efficient CO2 Removal from Natural Gas
Hongjun Liu, Valentino R. Cooper, Sheng Dai +1
We demonstrate from molecular dynamics simulations that windowed carbon nanotubes can efficiently separate CO2 from the CO2/CH4 mixture, resembling polymeric hollow fibers for gas…
First principles study of the graphene/Ru(0001) interface
De-en Jiang, Mao-Hua Du, Sheng Dai
Annealing the Ru metal that typically contains residual carbon impurities offers a facile way to grow graphene on Ru(0001) at the macroscopic scale. Two superstructures of the grap…
In search of a structural model for a thiolate-protected Au38 cluster
De-en Jiang, Weidong Luo, Murilo L. Tiago +1
The structure of thiolate-protected gold cluster Au38(SR)24 has not been determined experimentally and the best available signature is its measured optical spectrum. Using this sig…
Spin states of zigzag-edged Mobius graphene nanoribbons from first principles
De-en Jiang, Sheng Dai
Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanor…