Sebastian Zuluaga
Sebastian Zuluaga
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Spin signature of nonlocal correlation binding in metal-organic frameworks
T Thonhauser, S Zuluaga, CA Arter, K Berland, E Schröder, P Hyldgaard
Physical review letters 115 (13), 136402, 2015
Competitive Coadsorption of CO2 with H2O, NH3, SO2, NO, NO2, N2, O2, and CH4 in M-MOF-74 (M = Mg, Co, Ni): The Role of Hydrogen Bonding
K Tan, S Zuluaga, Q Gong, Y Gao, N Nijem, J Li, T Thonhauser, ...
Chemistry of Materials 27 (6), 2203-2217, 2015
Water reaction mechanism in metal organic frameworks with coordinatively unsaturated metal ions: MOF-74
K Tan, S Zuluaga, Q Gong, P Canepa, H Wang, J Li, YJ Chabal, ...
Chemistry of Materials 26 (23), 6886-6895, 2014
Water interactions in metal organic frameworks
K Tan, N Nijem, Y Gao, S Zuluaga, J Li, T Thonhauser, YJ Chabal
CrystEngComm 17 (2), 247-260, 2015
Understanding and controlling water stability of MOF-74
S Zuluaga, EMA Fuentes-Fernandez, K Tan, F Xu, J Li, YJ Chabal, ...
Journal of Materials Chemistry A 4 (14), 5176-5183, 2016
Novel Two-Dimensional Phase Driven by Interlayer Fusion in Layered
J Lin, S Zuluaga, P Yu, Z Liu, ST Pantelides, K Suenaga
Physical review letters 119 (1), 016101, 2017
Structural band-gap tuning in gC 3 N 4
S Zuluaga, LH Liu, N Shafiq, SM Rupich, JF Veyan, YJ Chabal, ...
Physical Chemistry Chemical Physics 17 (2), 957-962, 2015
Sulfur doping effects on the electronic and geometric structures of graphitic carbon nitride photocatalyst: insights from first principles
S Stolbov, S Zuluaga
Journal of Physics: Condensed Matter 25 (8), 085507, 2013
Interaction of Acid Gases SO2 and NO2 with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co)
K Tan, S Zuluaga, H Wang, P Canepa, K Soliman, J Cure, J Li, ...
Chemistry of Materials 29 (10), 4227-4235, 2017
Factors controlling the energetics of the oxygen reduction reaction on the Pd-Co electro-catalysts: Insight from first principles
S Zuluaga, S Stolbov
The Journal of chemical physics 135 (13), 134702, 2011
Trapping gases in metal-organic frameworks with a selective surface molecular barrier layer
K Tan, S Zuluaga, E Fuentes, EC Mattson, JF Veyan, H Wang, J Li, ...
Nature communications 7 (1), 1-8, 2016
Study of van der Waals bonding and interactions in metal organic framework materials
S Zuluaga, P Canepa, K Tan, YJ Chabal, T Thonhauser
Journal of Physics: Condensed Matter 26 (13), 133002, 2014
Factors controlling the reactivity of catalytically active monolayers on metal substrates
S Stolbov, S Zuluaga
The journal of physical chemistry letters 4 (9), 1537-1540, 2013
Anisotropic ordering in 1T′ molybdenum and tungsten ditelluride layers alloyed with sulfur and selenium
J Lin, J Zhou, S Zuluaga, P Yu, M Gu, Z Liu, ST Pantelides, K Suenaga
ACS nano 12 (1), 894-901, 2018
Role of Hydrogen Bonding on Transport of Coadsorbed Gases in Metal–Organic Frameworks Materials
K Tan, S Jensen, S Zuluaga, EK Chapman, H Wang, R Rahman, J Cure, ...
Journal of the American Chemical Society 140 (3), 856-859, 2018
Two-dimensional PdSe2-Pd2Se3 junctions can serve as nanowires
S Zuluaga, J Lin, K Suenaga, ST Pantelides
2D Materials 5 (3), 035025, 2018
Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels
S Zuluaga, EMA Fuentes-Fernandez, K Tan, CA Arter, J Li, YJ Chabal, ...
Journal of Materials Chemistry A 4 (34), 13176-13182, 2016
Cluster assisted water dissociation mechanism in MOF-74 and controlling it using helium
S Zuluaga, EMA Fuentes-Fernandez, K Tan, J Li, YJ Chabal, ...
Journal of Materials Chemistry A 4 (29), 11524-11530, 2016
Controlling Chemical Reactions in Confined Environments: Water Dissociation in MOF-74
E Fuentes-Fernandez, S Jensen, K Tan, S Zuluaga, H Wang, J Li, ...
Applied Sciences 8 (2), 270, 2018
Design of Optimally Stable Molecular Coatings for Fe-Based Nanoparticles in Aqueous Environments
S Zuluaga, P Manchanda, YY Zhang, ST Pantelides
ACS omega 2 (8), 4480-4487, 2017
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