A metal-free organic–inorganic aqueous flow battery B Huskinson, MP Marshak, C Suh, S Er, MR Gerhardt, CJ Galvin, X Chen, ... Nature 505 (7482), 195-198, 2014 | 1599 | 2014 |
High Electrical Conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a Semiconducting Metal–Organic Graphene Analogue D Sheberla, L Sun, MA Blood-Forsythe, S Er, CR Wade, CK Brozek, ... Journal of the American Chemical Society 136 (25), 8859-8862, 2014 | 992 | 2014 |
Computational design of molecules for an all-quinone redox flow battery S Er, C Suh, MP Marshak, A Aspuru-Guzik Chemical science 6 (2), 885-893, 2015 | 440 | 2015 |
Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry–the Harvard Clean Energy Project J Hachmann, R Olivares-Amaya, A Jinich, AL Appleton, ... Energy & Environmental Science 7 (2), 698-704, 2014 | 269 | 2014 |
DFT study of planar boron sheets: a new template for hydrogen storage S Er, GA de Wijs, G Brocks The Journal of Physical Chemistry C 113 (43), 18962-18967, 2009 | 149 | 2009 |
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds MC Sorkun, A Khetan, S Er Scientific Data 6, 143, 2019 | 140 | 2019 |
OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific Data 8, 217, 2021 | 86 | 2021 |
Tunable hydrogen storage in magnesium–transition metal compounds: First-principles calculations S Er, D Tiwari, GA de Wijs, G Brocks Physical Review B—Condensed Matter and Materials Physics 79 (2), 024105, 2009 | 59 | 2009 |
Hydrogen storage properties of Li-decorated B2S monolayers: a DFT study Z Liu, S Liu, S Er International Journal of Hydrogen Energy 44 (31), 16803-16810, 2019 | 57 | 2019 |
An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery MC Sorkun, S Astruc, V Koelman, S Er npj Computational Materials 6, 106, 2020 | 55 | 2020 |
Layer-by-layer assembled films of perylene diimide-and squaraine-containing metal–organic framework-like materials: solar energy capture and directional energy transfer HJ Park, MC So, D Gosztola, GP Wiederrecht, JD Emery, ABF Martinson, ... ACS Applied Materials & Interfaces 8 (38), 24983-24988, 2016 | 49 | 2016 |
Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis F Chang, I Tezsevin, JW de Rijk, JD Meeldijk, JP Hofmann, S Er, P Ngene, ... Nature Catalysis 5, 222, 2022 | 44 | 2022 |
Hydrogen storage by polylithiated molecules and nanostructures S Er, GA de Wijs, G Brocks The Journal of Physical Chemistry C 113 (20), 8997-9002, 2009 | 41 | 2009 |
Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage Q Zhang, A Khetan, S Er Scientific Reports 10, 22149, 2020 | 38 | 2020 |
Pushing the limits of solubility prediction via quality-oriented data selection M Sorkun, V Koelman, S Er iScience 24, 101961, 2021 | 35 | 2021 |
Carbon nanofibers in catalytic membrane microreactors HC Aran, SP Benito, MWJ Luiten-Olieman, S Er, M Wessling, L Lefferts, ... Journal of membrane science 381 (1-2), 244-250, 2011 | 35 | 2011 |
Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211) G Füchsel, K Cao, S Er, EWF Smeets, AW Kleyn, LBF Juurlink, GJ Kroes The Journal of Physical Chemistry Letters, 2017 | 33 | 2017 |
Improved hydrogen storage in Ca-decorated boron heterofullerenes: a theoretical study S Er, GA de Wijs, G Brocks Journal of Materials Chemistry A 3 (15), 7710, 2015 | 33 | 2015 |
First-principles study of the optical properties of MJ van Setten, S Er, G Brocks, RA de Groot, GA de Wijs Physical Review B—Condensed Matter and Materials Physics 79 (12), 125117, 2009 | 31 | 2009 |
ChemPlot, a Python library for chemical space visualization MC Sorkun, D Mullaj, JMVA Koelman, S Er | 30 | 2022 |