3 citations · 3 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2017★ 3 cited
Quantum chemical calculations to elucidate the electronic and elastic properties of topologically equivalent metal organic frameworks
Mo Xiong, Neng Li, George Neville Greaves +2
We have theoretically investigated the elastic properties of three topologically identical zeolitic imidazolate frameworks: ZIF-4, ZIF-62 and TIF-4, by means of ab initio calculati…
cond-mat.mtrl-sci2016
d2, d3, and d4 M3C2 Transition Metal Carbides (MXenes) as Catalysts for CO2 Conversion into Hydrocarbon Fuels: A Mechanistic and Pre-dictive DFT Study
Neng Li, Luis Miguel Azofra, Xingzhu Chen +3
The functioning of 2D d2, d3, and d4 transition metal carbides as CO2 conversion catalysts has been proved by well resolved density functional theory (DFT) and DFT+U theoretical ca…