Maria K Y Chan
Maria K Y Chan
Scientist, Center for Nanoscale Materials, Argonne National Laboratory
Verified email at - Homepage
Cited by
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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
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
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
Efficient band gap prediction for solids
MKY Chan, G Ceder
Physical review letters 105 (19), 196403, 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
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
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
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
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
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
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
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
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
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
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
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
Theory of Thermal Relaxation of Electrons in Semiconductors
S Sadasivam, MKY Chan, P Darancet
Physical Review Letters 119 (13), 136602, 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
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
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
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