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Sharma S. R. K. C. Yamijala
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Freestanding Borophene and Its Hybrids
P Ranjan, TK Sahu, R Bhushan, SS Yamijala, DJ Late, P Kumar, A Vinu
Advanced Materials 31 (27), 1970196, 2019
2582019
Non-proteinaceous Hydrolase Comprised of a Phenylalanine Metallo-supramolecular Amyloid-like Structure
P Makam, SS Yamijala, K Tao, LJW Shimon, DS Eisenberg, MR Sawaya, ...
Nature catalysis 2 (11), 977-985, 2019
1372019
A machine learning approach for predicting defluorination of per-and polyfluoroalkyl substances (PFAS) for their efficient treatment and removal
A Raza, S Bardhan, L Xu, SS Yamijala, C Lian, H Kwon, BM Wong
Environmental Science & Technology Letters 6 (10), 624-629, 2019
1022019
Linear and Nonlinear Optical Properties of Graphene Quantum Dots: A Computational Study
SS Yamijala, M Mukhopadhyay, SK Pati
The Journal of Physical Chemistry C 119 (21), 12079-12087, 2015
842015
Single amino acid bionanozyme for environmental remediation
P Makam, SS Yamijala, VS Bhadram, LJW Shimon, BM Wong, E Gazit
Nature communications 13 (1), 1505, 2022
682022
Alpha Lead Oxide (α‐PbO): A New 2D Material with Visible Light Sensitivity
P Kumar, J Liu, P Ranjan, Y Hu, SS Yamijala, SK Pati, J Irudayaraj, ...
Small 14 (12), 1703346, 2018
632018
Structural Stability, Electronic, Magnetic, and Optical Properties of Rectangular Graphene and Boron-nitride Quantum Dots: Effects of Size, Substitution, and Electric Field
SS Yamijala, A Bandyopadhyay, SK Pati
The Journal of Physical Chemistry C 117 (44), 23295-23304, 2013
622013
Borophene via micromechanical exfoliation
S Chahal, P Ranjan, M Motlag, SS Yamijala, DJ Late, EHS Sadki, ...
Advanced Materials 33 (34), 2102039, 2021
612021
Improved Band Gaps and Structural Properties from Wannier–Fermi–Löwdin Self-interaction Corrections for Periodic Systems
R Shinde, SS Yamijala, BM Wong
Journal of Physics: Condensed Matter 33 (11), 115501, 2020
552020
Quasi-diabatic Representation for Nonadiabatic Dynamics Propagation
A Mandal, SS Yamijala, P Huo
Journal of Chemical Theory and Computation 14 (4), 1828-1840, 2018
532018
Degradation of per-and polyfluoroalkyl substances with hydrated electrons: a new mechanism from first-principles calculations
S Biswas, SS Yamijala, BM Wong
Environmental Science & Technology 56 (12), 8167-8175, 2022
502022
Real-time Degradation Dynamics of Hydrated Per-and Polyfluoroalkyl Substances (PFASs) in the Presence of Excess Electrons
SS Yamijala, R Shinde, BM Wong
Physical Chemistry Chemical Physics 22 (13), 6804-6808, 2020
432020
Tuning the Electronic and Optical Properties of Graphene and Boron-nitride Quantum Dots by Molecular Charge-transfer Interactions: A Theoretical Study
A Bandyopadhyay, SS Yamijala, SK Pati
Physical Chemistry Chemical Physics 15 (33), 13881-13887, 2013
422013
Photochemistry of Plasmonic Titanium Nitride Nanocrystals
AA Barragan, S Hanukovich, K Bozhilov, SS Yamijala, BM Wong, ...
The Journal of Physical Chemistry C 123 (35), 21796-21804, 2019
392019
The Interaction of Halogen Molecules with SWNTs and Graphene
S Ghosh, SS Yamijala, SK Pati, CNR Rao
RSC Advances 2 (3), 1181-1188, 2012
372012
Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations
SS Yamijala, H Kwon, J Guo, BM Wong
ACS Applied Materials & Interfaces 13 (11), 13114–13122, 2021
312021
Electronic Properties of Zigzag, Armchair and their Hybrid Quantum Dots of Graphene and Boron-nitride with and without Substitution: A DFT Study
SS Yamijala, A Bandyopadhyay, SK Pati
Chemical Physics Letters 603, 28-32, 2014
302014
Electronic and Magnetic Properties of Zigzag Boron-nitride Nanoribbons with Even and Odd-line Stone-Wales (5–7 Pair) Defects
SS Yamijala, SK Pati
The Journal of Physical Chemistry C 117 (7), 3580-3594, 2013
292013
Harnessing Plasma Environments for Ammonia Catalysis: Mechanistic Insights from Experiments and Large-Scale Ab Initio Molecular Dynamics
SS Yamijala, G Nava, ZA Ali, D Beretta, BM Wong, L Mangolini
The Journal of Physical Chemistry Letters 11 (24), 10469-10475, 2020
252020
Pressure Induced Structural, Electronic Topological, and Semiconductor to Metal Transition in AgBiSe2
V Rajaji, PS Malavi, SS Yamijala, YA Sorb, U Dutta, SN Guin, B Joseph, ...
Applied Physics Letters 109 (17), 171903, 2016
252016
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