Search Results - "Khanal, Rabi"

Quantum chemical investigation of the effect of alkali metal ions on the dynamic structure of water in aqueous solutions by Khanal, Rabi, Irle, Stephan

“…We report quantum chemical molecular dynamics (MD) simulations based on the density-functional tight-binding (DFTB) method to investigate the effect of K + ,…”
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The Structure and Properties of Amorphous Indium Oxide by Buchholz, D. Bruce, Ma, Qing, Alducin, Diego, Ponce, Arturo, Jose-Yacaman, Miguel, Khanal, Rabi, Medvedeva, Julia E, Chang, Robert P. H

“…A series of In2O3 thin films, ranging from X-ray diffraction amorphous to highly crystalline, were grown on amorphous silica substrates using pulsed laser…”
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Role of Chemistry and Crystal Structure on the Electronic Defect States in Cs-Based Halide Perovskites by Naskar, Anirban, Khanal, Rabi, Choudhury, Samrat

“…The electronic structure of a series perovskites ABX (A = Cs; B = Ca, Sr, and Ba; X = F, Cl, Br, and I) in the presence and absence of antisite defect X were…”
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Atomic structure and electronic properties of lead and tin based hybrid halide perovskite surface for photovoltaic applications by Khanal, Rabi, Ayers, Nicholas, Banerjee, Soumik, Choudhury, Samrat

“…Organic-inorganic hybrid halide perovskites are emerging as one of the potential materials in the photovoltaic community due to its attractive power conversion…”
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Low temperature synthesis and characterization of zinc gallate quantum dots for optoelectronic applications by Safeera, T.A., Khanal, Rabi, Medvedeva, Julia E., Martinez, Arturo I., Vinitha, G., Anila, E.I.

“…Quantum dots of zinc gallate (ZnGa2O4) has been synthesized by wet chemical route at a temperature of 90 °C. The structural, linear and nonlinear optical…”
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Role of zirconium in neodymium-dopants interactions within uranium-based metallic fuels by Khanal, Rabi, Ayers, Nicholas, Jerred, Nathan, Benson, Michael T., Mariani, Robert D., Charit, Indrajit, Choudhury, Samrat

“…Metallic fuels proposed for advanced nuclear reactors are found to be superior to other fuel types in terms of high thermal conductivity, proliferation…”
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Cation Size Effects on the Electronic and Structural Properties of Solution‐Processed In–X–O Thin Films by Smith, Jeremy, Zeng, Li, Khanal, Rabi, Stallings, Katie, Facchetti, Antonio, Medvedeva, Julia E., Bedzyk, Michael J., Marks, Tobin J.

“…The nature of charge transport and local structure are investigated in amorphous indium oxide‐based thin films fabricated by spin‐coating. The In–X–O series…”
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Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8 by Rickert, Karl, Pozzi, Eric A, Khanal, Rabi, Onoue, Masatoshi, Trimarchi, Giancarlo, Medvedeva, Julia E, Hersam, Mark C, Van Duyne, Richard P, Poeppelmeier, Kenneth R

“…Mn3Ta2O8, a stable targeted material with an unusual and complex cation topology in the complicated Mn–Ta–O phase space, has been grown as a ≈3-cm-long single…”
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Evaluation of Sb-Nd and Te-Nd phases within the U-Zr fuel matrix and their interactions with HT9 alloy by Jerred, Nathan D., Khanal, Rabi, Benson, Michael T., Choudhury, Samrat, Charit, Indrajit

“…Antimony (Sb) and tellurium (Te) were investigated as potential additives for U-10Zr (wt.%) metallic fuel to limit the fuel-cladding chemical interaction…”
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Evaluation of Sb-Nd and Te-Nd phases within the U-Zr fuel matrix and their interactions with HT9 alloy by Jerred, Nathan D., Khanal, Rabi, Benson, Michael T., Choudhury, Samrat, Charit, Indrajit

“…Antimony (Sb) and tellurium (Te) were investigated as potential additives for U-10Zr (wt.%) metallic fuel to limit the fuel-cladding chemical interaction…”
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Variation in Cation Adsorption Mechanism Controlled by Chemical and Structural Heterogeneities at the Quartz (101)–Water Interface by Yang, Peng, Yuan, Ke, Khanal, Rabi, Irle, Stephan, Anovitz, Lawrence M., Fenter, Paul, Stack, Andrew G., Lee, Sang Soo

“…Mineral–water interfacial reactions are central to chemical processes that control the fate of nutrients and contaminants in natural environments. Mineral…”
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Formation of uranium nitride nanoparticles via mechanical alloying of uranium-molybdenum alloy fuels in gaseous nitrogen by Zillinger, James, Jerred, Nathan, Bachhav, Mukesh, Wagner, Adrian R., Yao, Tiankai, Khanal, Rabi, Choudhury, Samrat, Charit, Indrajit

“…Uranium-molybdenum (U-Mo) alloys show promise as a nuclear fuel system due to their high thermal conductivity and fuel loading capability. However, U-Mo…”
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Tracing mechanistic pathways and reaction kinetics toward equilibrium in reactive molten salts by Gibson, Luke D, Roy, Santanu, Khanal, Rabi, Chahal, Rajni, Sedova, Ada, Bryantsev, Vyacheslav S

“…In the dynamic environment of multi-component reactive molten salts, speciation unfolds as a complex process, involving multiple competing reaction pathways…”
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Long-range structural correlations in amorphous ternary In-based oxides by Medvedeva, Julia E., Khanal, Rabi

“…Systematic investigations of ternary In-based amorphous oxides, In–X–O with X = Sn, Zn, Ga, Cd, Ge, Sc, Y, or La, are performed using ab-initio…”
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Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots by Varghese, Aveena, Kuriakose, Elezabeth, Jose, Jervise, Aryal, Sandip, Khanal, Rabi, Anila, E I.

“…Quantum confined uncapped and chitosan capped nanoparticles of ZnAl2O4 synthesized by microwave-assisted sol–gel method were investigated by structural…”
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Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots by Varghese, Aveena Abee, Kuriakose, Elezabeth, Jose, Jervise, Aryal, Sandip, Khanal, Rabi, Anila, E I

“…[Display omitted] •Low temperature synthesis of zinc aluminate quantum dots.•Evaluation excitonic Bohr radius of zinc aluminate.•Study of chitosan capping on…”
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Importance of Nuclear Quantum Effects on Aqueous Electrolyte Transport under Confinement in Ti 3 C 2 MXenes by Ganeshan, Karthik, Khanal, Rabi, Muraleedharan, Murali Gopal, Hellström, Matti, Kent, Paul R. C., Irle, Stephan, van Duin, Adri C. T.

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Study of Structure and Electronic Properties of Heterointerfaces for Photovoltaic Applications by Khanal, Rabi, Ayers, Nicholas, Briggs, Sheila, Wang, Yi, Banerjee, Soumik, Choudhury, Samrat

“…The linkage between the atomic structure and the electronic property is complex for heterointerfaces involving multicomponent organic–inorganic systems because…”
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Importance of Nuclear Quantum Effects on Aqueous Electrolyte Transport under Confinement in Ti3C2 MXenes by Ganeshan, Karthik, Khanal, Rabi, Muraleedharan, Murali Gopal, Hellström, Matti, Kent, Paul R. C., Irle, Stephan, van Duin, Adri C. T.

“…Protons display a high chemical activity and strongly affect the charge storage capability in confined interlayer spaces of two-dimensional (2D) materials. As…”
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Interactions and immobilization of lanthanides with dopants in uranium-based metallic fuels by Khanal, Rabi, Jerred, Nathan, Benson, Michael T., Xie, Yi, Mariani, Robert D., Charit, Indrajit, Choudhury, Samrat

“…In uranium-based fuels, production and migration of lanthanide fission products and subsequent chemical interactions with cladding constituents lead to…”
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