Flat-histogram Monte Carlo
M. Witman, N. A. Mahynski, and B. Smit, Flat-histogram Monte Carlo as an efficient tool to evaluate adsorption processes involving rigid and deformable molecules J Chem Theory Comput 14 (12), 6149 (2018) Doi: 10.1021/acs.jctc.8b00534 Abstract: Monte Carlo simulations are the foundational technique for predicting thermodynamic properties of open systems where the process of interest involves the exchange of particles. Thus, they have (…)
A bi-porous metal–organic framework
A. Gładysiak, K. S. Deeg, I. Dovgaliuk, A. Chidambaram, K. Ordiz, P. G. Boyd, S. M. Moosavi, D. Ongari, J. A. R. Navarro, B. Smit, and K. C. Stylianou, A bi-porous metal–organic framework with tuneable CO2/CH4 separation performance facilitated by intrinsic flexibility ACS Appl Mater Interfaces 10 (42), 36144 (2018) Doi: 10.1021/acsami.8b13362 Abstract: In this work, we report the synthesis of SION-8, (…)
Photocatalytic Hydrogen Generation from a Visible-light Responsive Metal-organic Framework
T. N. Nguyen, S. Kampouri, B. Valizadeh, W. Luo, D. Ongari, O. M. Planes, A. Zuttel, B. Smit, and K. C. Stylianou, Photocatalytic Hydrogen Generation from a Visible-light Responsive Metal-organic Framework System: Stability versus Activity of Molybdenum Sulfide Co-catalysts ACS Appl Mater Interfaces 10 (36), 30035 (2018) doi: 10.1021/acsami.8b10010 Abstract: We report the use of two earth abundant molybdenum sulfide-based co-catalysts, (…)