38 citations · 65 across the 4 of their papers we have counts for
5 papers
Demonstrating Electrochemical CO Capture on Redox-Active Metal-Organic Frameworks
Iuliia Vetik, Nikita Žoglo, Akmal Kosimov +14
Addressing climate change calls for action to control CO pollution. Direct air and ocean capture offer a solution to this challenge. Making carbon capture competitive with alte…
Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: Electronic structure and adsorbent reorganisation effects
Anagha Sasikumar, Anouar Belhboub, Camille Bacon +5
In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular s…
NMR studies of adsorption and diffusion in porous carbonaceous materials
Alexander C. Forse, Céline Merlet, Clare P. Grey +1
Porous carbonaceous materials have many important industrial applications including energy storage, water purification, and adsorption of volatile organic compounds. Most of their…
Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons
Dimitrios Kilymis, Albert P. Bartók, Chris J. Pickard +2
Nuclear Magnetic Resonance (NMR) is one of the most powerful experimental techniques to characterize the structure of molecules and confined liquids. Nevertheless, the complexity o…
Lattice simulation method to model diffusion and NMR spectra in porous materials
Céline Merlet, Alexander C. Forse, John M. Griffin +2
A coarse-grained simulation method to predict NMR spectra of ions diffusing in porous carbons is proposed. The coarse-grained model uses input from molecular dynamics simulations s…