Santiago Builes
Santiago Builes
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Isosteric heats of gas and liquid adsorption
S Builes, SI Sandler, R Xiong
Langmuir 29 (33), 10416-10422, 2013
A brief review of the computational modeling of CO2 electroreduction on Cu electrodes
A Rendón-Calle, S Builes, F Calle-Vallejo
Current Opinion in Electrochemistry 9, 158-165, 2018
A semiempirical method to detect and correct DFT-based gas-phase errors and its application in electrocatalysis
LP Granda-Marulanda, A Rendon-Calle, S Builes, F Illas, MTM Koper, ...
ACS Catalysis 10 (12), 6900-6907, 2020
Microporous carbon adsorbents with high CO 2 capacities for industrial applications
S Builes, T Roussel, CM Ghimbeu, J Parmentier, R Gadiou, C Vix-Guterl, ...
Physical Chemistry Chemical Physics 13 (35), 16063-16070, 2011
Substantial improvement of electrocatalytic predictions by systematic assessment of solvent effects on adsorption energies
A Rendón-Calle, S Builes, F Calle-Vallejo
Applied Catalysis B: Environmental 276, 119147, 2020
Effect of immobilized amines on the sorption properties of solid materials: impregnation versus grafting
S Builes, LF Vega
Langmuir 29 (1), 199-206, 2013
Optimization of the separation of sulfur hexafluoride and nitrogen by selective adsorption using monte carlo simulations
S Builes, T Roussel, LF Vega
AIChE journal 57 (4), 962-974, 2011
Understanding CO2 Capture in Amine-Functionalized MCM-41 by Molecular Simulation
S Builes, LF Vega
The Journal of Physical Chemistry C 116 (4), 3017-3024, 2012
Adsorption of cadmium using biochars produced from agro-residues
JE López, S Builes, MA Heredia Salgado, LAC Tarelho, C Arroyave, ...
The Journal of Physical Chemistry C 124 (27), 14592-14602, 2020
Analysis of CO2 Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations
S Builes, P López-Aranguren, J Fraile, LF Vega, C Domingo
Energy & Fuels 29 (6), 3855-3862, 2015
How symmetry factors cause potential-and facet-dependent pathway shifts during CO2 reduction to CH4 on Cu electrodes
A Rendón-Calle, QH Low, SHL Hong, S Builes, BS Yeo, F Calle-Vallejo
Applied Catalysis B: Environmental 285, 119776, 2021
Fast correction of errors in the DFT‐calculated energies of gaseous nitrogen‐containing species
R Urrego‐Ortiz, S Builes, F Calle‐Vallejo
ChemCatChem 13 (10), 2508-2516, 2021
Understanding the Performance of New Amine-Functionalized Mesoporous Silica Materials for CO2 Adsorption
P López-Aranguren, S Builes, J Fraile, LF Vega, C Domingo
Industrial & Engineering Chemistry Research 53 (40), 15611-15619, 2014
Alkylsilane-functionalized microporous and mesoporous materials: molecular simulation and experimental analysis of gas adsorption
S Builes, P López-Aranguren, J Fraile, LF Vega, C Domingo
The Journal of Physical Chemistry C 116 (18), 10150-10161, 2012
Effect of Amine Functionalization of MOF Adsorbents for Enhanced CO2 Capture and Separation: A Molecular Simulation Study
D Bahamon, W Anlu, S Builes, M Khaleel, LF Vega
Frontiers in Chemistry 8, 574622, 2021
Hybrid aminopolymer–silica materials for efficient CO 2 adsorption
P López-Aranguren, S Builes, J Fraile, A López-Periago, LF Vega, ...
RSC Advances 5 (127), 104943-104953, 2015
Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
R Urrego-Ortiz, S Builes, F Calle-Vallejo
ACS catalysis 12 (8), 4784-4791, 2022
A comparative assessment of emerging solvents and adsorbents for mitigating CO2 emissions from the industrial sector by using molecular modeling tools.
D Bahamon Garcia, III Alkhatib, N Alkhatib, S Builes, M Sinnokrot, ...
Frontiers in Energy Research 8, 165, 2020
Reducing cadmium bioaccumulation in Theobroma cacao using biochar: basis for scaling-up to field
JE López, C Arroyave, A Aristizábal, B Almeida, S Builes, E Chavez
Heliyon 8 (6), e09790, 2022
Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt‐Based Electrocatalysts
LP Granda‐Marulanda, S Builes, MTM Koper, F Calle‐Vallejo
ChemPhysChem 20 (22), 2968-2972, 2019
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