3 papers
cond-mat.mtrl-sci2021
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…
cond-mat.mtrl-sci2020
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…
physics.chem-ph2020
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…