| Trends in activity for the water electrolyser reactions on 3d M (Ni, Co, Fe, Mn) hydr (oxy) oxide catalysts R Subbaraman, D Tripkovic, KC Chang, D Strmcnik, AP Paulikas, ... Nature Materials 11 (6), 550-557, 2012 | 2782 | 2012 |
| Ultralow-loading platinum-cobalt fuel cell catalysts derived from imidazolate frameworks L Chong, J Wen, J Kubal, FG Sen, J Zou, J Greeley, M Chan, H Barkholtz, ... Science 362 (6420), 1276-1281, 2018 | 888 | 2018 |
| Edge-terminated molybdenum disulfide with a 9.4-A interlayer spacing for electrochemical hydrogen production MR Gao, MKY Chan, Y Sun Nature Communications 6, 7493, 2015 | 725 | 2015 |
| Efficient band gap prediction for solids MKY Chan, G Ceder Physical review letters 105 (19), 196403, 2010 | 562 | 2010 |
| Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds VL Chevrier, SP Ong, R Armiento, MKY Chan, G Ceder Physical Review B 82 (7), 075122, 2010 | 383 | 2010 |
| First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon MKY Chan, C Wolverton, JP Greeley Journal of the American Chemical Society 134 (35), 14362-14374, 2012 | 302 | 2012 |
| First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF H Yildirim, A Kinaci, MKY Chan, JP Greeley ACS applied materials & interfaces 7 (34), 18985-18996, 2015 | 245 | 2015 |
| Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox C Zhan, Z Yao, J Lu, L Ma, VA Maroni, L Li, E Lee, EE Alp, T Wu, J Wen, ... Nature Energy 2 (12), 963-971, 2017 | 175 | 2017 |
| On the origin of photoluminescence in silicon nanocrystals: pressure-dependent structural and optical studies DC Hannah, J Yang, P Podsiadlo, MKY Chan, A Demortiere, DJ Gosztola, ... Nano letters 12 (8), 4200-4205, 2012 | 170 | 2012 |
| First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance R Sun, MKY Chan, G Ceder Physical Review B 83 (23), 235311, 2011 | 170 | 2011 |
| Synthesis of borophane polymorphs through hydrogenation of borophene Q Li, VSC Kolluru, MS Rahn, E Schwenker, S Li, RG Hennig, P Darancet, ... Science 371 (6534), 1143-1148, 2021 | 164 | 2021 |
| Machine Learning Force Field Parameters from Ab Initio Data Y Li, H Li, FC Pickard IV, B Narayanan, FG Sen, MKY Chan, ... Journal of Chemical Theory and Computation 13 (9), 4492-4503, 2017 | 147 | 2017 |
| Prediction of semiconductor band edge positions in aqueous environments from first principles Y Wu, MKY Chan, G Ceder Physical Review B 83 (23), 235301, 2011 | 143 | 2011 |
| First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene H Yildirim, A Kinaci, ZJ Zhao, MKY Chan, JP Greeley ACS applied materials & interfaces 6 (23), 21141-21150, 2014 | 138 | 2014 |
| Synthesis, Characterization, and Structural Modeling of High‐Capacity, Dual Functioning MnO2 Electrode/Electrocatalysts for Li‐O2 Cells L Trahey, NK Karan, MKY Chan, J Lu, Y Ren, J Greeley, ... Advanced Energy Materials 3 (1), 75-84, 2013 | 129 | 2013 |
| Towards first-principles based prediction of highly accurate electrochemical Pourbiax diagrams Z Zeng, MKY Chan, ZJ Zhao, J Kubal, D Fan, J Greeley Journal of Physical Chemistry C 119 (32), 18177-18187, 2015 | 118 | 2015 |
| Theory of Thermal Relaxation of Electrons in Semiconductors S Sadasivam, MKY Chan, P Darancet Physical Review Letters 119 (13), 136602, 2017 | 107 | 2017 |
| Dopant Modulated Li Insertion in Si for Battery Anodes: Theory and Experiment BR Long, MKY Chan, JP Greeley, AA Gewirth The Journal of Physical Chemistry C 115 (38), 18916-18921, 2011 | 107 | 2011 |
| Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data H Chan, B Narayanan, MJ Cherukara, FG Sen, K Sasikumar, SK Gray, ... The Journal of Physical Chemistry C 123 (12), 6941-6957, 2019 | 100 | 2019 |
| Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures MJ Cherukara, B Narayanan, A Kinaci, K Sasikumar, SK Gray, MKY Chan, ... The Journal of Physical Chemistry Letters 7 (19), 3752-3759, 2016 | 100 | 2016 |
Jeffrey GreeleyPurdue UniversityVerified email at purdue.edu
