Kanchan Ulman
Kanchan Ulman
Centre for Advanced 2D Materials, National University of Singapore
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Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study
K Ulman, MT Nguyen, N Seriani, R Gebauer
The Journal of chemical physics 144 (9), 094701, 2016
Hole localization in from density functional theory and wave-function-based methods
N Ansari, K Ulman, MF Camellone, N Seriani, R Gebauer, S Piccinin
Physical Review Materials 1 (3), 035404, 2017
Point defects in twisted bilayer graphene: A density functional theory study
K Ulman, S Narasimhan
Physical Review B 89 (24), 245429, 2014
A unified picture of water oxidation on bare and gallium oxide-covered hematite from density functional theory
K Ulman, MT Nguyen, N Seriani, S Piccinin, R Gebauer
ACS Catalysis 7 (3), 1793-1804, 2017
Chiral Phonons and Giant Magneto‐Optical Effect in CrBr3 2D Magnet
T Yin, KA Ulman, S Liu, A Granados del Águila, Y Huang, L Zhang, ...
Advanced Materials 33 (36), 2101618, 2021
Tuning spin transport properties and molecular magnetoresistance through contact geometry
K Ulman, S Narasimhan, A Delin
The Journal of Chemical Physics 140 (4), 044716, 2014
Near‐Unity Molecular Doping Efficiency in Monolayer MoS2
M Yarali, Y Zhong, SN Reed, J Wang, KA Ulman, DJ Charboneau, ...
Advanced Electronic Materials 7 (2), 2000873, 2021
Physical origins of weak H2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons
K Ulman, D Bhaumik, BC Wood, S Narasimhan
The Journal of chemical physics 140 (17), 174708, 2014
Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study
K Ulman, E Poli, N Seriani, S Piccinin, R Gebauer
The Journal of chemical physics 150 (4), 041707, 2019
Light–Matter Interaction in Quantum Confined 2D Polar Metals
K Nisi, S Subramanian, W He, KA Ulman, H El‐Sherif, F Sigger, ...
Advanced Functional Materials 31 (4), 2005977, 2021
Organic-2D material heterostructures: A promising platform for exciton condensation and multiplication
K Ulman, SY Quek
Nano Letters 21 (20), 8888-8894, 2021
Graphene oxide as an optimal candidate material for methane storage
R Chouhan, K Ulman, S Narasimhan
The Journal of chemical physics 143 (4), 044704, 2015
Quantum mechanical effects in zwitterionic amino acids: The case of proline, hydroxyproline, and alanine in water
K Ulman, S Busch, AA Hassanali
The Journal of Chemical Physics 148 (22), 222826, 2018
Magnetoelectric ε- Fe2O3 : DFT study of a potential candidate for electrode material in photoelectrochemical cells
I Ahamed, K Ulman, N Seriani, R Gebauer, K Arti
Journal of Chemical Physics 148 (214707), 7, 2018
Adsorption of methane on single metal atoms supported on graphene: Role of electron back-donation in binding and activation
N Pantha, K Ulman, S Narasimhan
The Journal of Chemical Physics 153 (24), 244701, 2020
Dielectric properties of Si3−ξGeξN4 and Si3−ξCξN4: A density functional study
K Ulman, R Sathiyanarayanan, RK Pandey, K Murali, S Narasimhan
Journal of Applied Physics 113 (23), 234102, 2013
Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces
LT Poaty, K Ulman, N Seriani, B M’Passi-Mabiala, R Gebauer
Journal of molecular modeling 24, 1-8, 2018
Electronic structure of a buried two-dimensional antiferromagnetic layer: Experimental and theoretical investigation of Ag/Cr/Ag (001)
J Das, S Biswas, K Ulman, R Banerjee, G Gautam, AK Kundu, ...
Physical Review B 98 (7), 075137, 2018
Comparison between s-and d-electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods
A Odell, A Delin, B Johansson, K Ulman, S Narasimhan, I Rungger, ...
Physical Review B 84 (16), 165402, 2011
Shear Modes in a 2D Polar Metal
W He, MT Wetherington, KA Ulman, JL Gray, JA Robinson, SY Quek
The Journal of Physical Chemistry Letters 13 (18), 4015-4020, 2022
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