Takat B. Rawal

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Predictive Modeling of Functional Materials for Catalytic and Sensor Applications

Takat B. Rawal, 2017 .

MoS2 Nanoclusters Grown on TiO2: Evidence for New Adsorption Sites at Edges and Sulfur Vacancies

Takat B. Rawal, Randima P. Galhenage, Donna A. Chen, 2019, The Journal of Physical Chemistry C.

Deciphering complex features in STM images of O adatoms on Ag(110)

Takat B. Rawal, T. Rahman, J. Pal, 2018, Physical Review B.

Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces

Charles M. Cai, Takat B. Rawal, Jeremy C. Smith, 2020, Proceedings of the National Academy of Sciences.

The relation between lignin sequence and its 3D structure.

Takat B. Rawal, M. Zahran, Loukas Petridis, 2020, Biochimica et biophysica acta. General subjects.

Syngas molecules as probes for defects in 2D hexagonal boron nitride: their adsorption and vibrations.

Takat B. Rawal, Tao Jiang, T. Rahman, 2020, Physical chemistry chemical physics : PCCP.

Nonmetal-to-Metal Transition of Magnesia Supported Au Clusters Affects the Ultrafast Dissociation Dynamics of Adsorbed CH3Br Molecules.

Takat B. Rawal, S. Leone, T. Rahman, 2022, The journal of physical chemistry letters.

Adsorption, diffusion, and vibration of oxygen on Ag (110 )

Takat B. Rawal, T. Rahman, A. Pulkkinen, 2015 .

Towards Higher Alcohol Formation using a single-layer MoS2 activated Au on Silica: Methanol Carbonylation to Acetaldehyde

Takat B. Rawal, Tao Jiang, P. Dowben, 2019 .

Atomic-Scale Structure and Catalysis on Positively Charged Bimetallic Sites for Generation of H2.

Takat B. Rawal, F. Tao, T. Rahman, 2020, Nano letters.

Engineered zinc oxide-based nanotherapeutics boost systemic antibacterial efficacy against phloem-restricted diseases

Takat B. Rawal, Loukas Petridis, Briana Lee, 2022, Environmental Science: Nano.

A Single Layer of MoS2 Activates Gold for Room Temperature CO Oxidation on an Inert Silica Substrate

Takat B. Rawal, T. Rahman, William C. Coley, 2019, The Journal of Physical Chemistry C.

Spontaneous rearrangement of acetylated xylan on hydrophilic cellulose surfaces

Takat B. Rawal, Jeremy C. Smith, Loukas Petridis, 2021, Cellulose.

The symmetry-resolved electronic structure of 2H-WSe2(0 0 0 1)

Takat B. Rawal, P. Dowben, T. Rahman, 2016, Journal of physics. Condensed matter : an Institute of Physics journal.

Toward alcohol synthesis from CO hydrogenation on Cu(111)-supported MoS2 - predictions from DFT+KMC.

Takat B. Rawal, T. Rahman, D. Le, 2021, The Journal of chemical physics.

Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application

Takat B. Rawal, T. Rahman, D. Le, 2014 .

Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles

Takat B. Rawal, Jeremy C. Smith, Loukas Petridis, 2020 .

Interaction of Zinc Oxide Nanoparticles with Water: Implications for Catalytic Activity

Takat B. Rawal, Loukas Petridis, O. Akbilgic, 2019, ACS Applied Nano Materials.

Antimicrobial Zn-Based "TSOL" for Citrus Greening Management: Insights from Spectroscopy and Molecular Simulation.

Takat B. Rawal, Loukas Petridis, N. Labbe, 2019, Journal of agricultural and food chemistry.

Complementary roles of benzylpiperazine and iodine ‘vapor’ in the strong enhancement of orange photoluminescence from CuI(1 1 1) thin film

Takat B. Rawal, V. Turkowski, T. Rahman, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Molybdenum disulfide for ultra-low detection of free radicals: electrochemical response and molecular modeling

Craig J. Neal, Takat B. Rawal, Soumen Das, 2017 .

Methanol carbonylation to acetaldehyde on Au particles supported by single-layer MoS2 grown on silica

Takat B. Rawal, Tao Jiang, P. Dowben, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride

Takat B. Rawal, C. Ting, Hao-Dong Liu, 2021, Physical Review Materials.

Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2

Takat B. Rawal, P. Dowben, T. Rahman, 2018 .

MoS2-supported gold nanoparticle for CO hydrogenation

Takat B. Rawal, T. Rahman, D. Le, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Effect of Single-Layer MoS2 on the Geometry, Electronic Structure, and Reactivity of Transition Metal Nanoparticles

Takat B. Rawal, T. Rahman, D. Le, 2017 .

High Catalytic Activity of Pd1/ZnO(101̅0) toward Methanol Partial Oxidation: A DFT+KMC Study

Takat B. Rawal, F. Tao, T. Rahman, 2018 .

Machine Learning, Density Functional Theory, and Experiments to Understand the Photocatalytic Reduction of CO$_2$ by CuPt/TiO$_2$

Takat B. Rawal, Vaidish Sumaria, Young Feng Li, 2024, 2402.08884.

MoS2-supported gold nanoparticle for CO hydrogenation

Takat B. Rawal, T. Rahman, Duy Le, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.