Publications
Filters: Author is Seshadri, Ram [Clear All Filters]
Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics. The Journal of Physical Chemistry C. 118:27721–27727.
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2014. Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
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2019. AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic chemistry.
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2018. Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts. ACS applied materials & interfaces. 7:7264–7272.
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2015. Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry of Materials.
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2019. Computational screening of magnetocaloric alloys. Physical Review Materials. 4:024402.
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2020. Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba2–x SiO4: Eu2+ Orthosilicate Phosphors. Chemistry of Materials. 26:2275–2282.
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2014. Crystal and Electronic Structures of Complex Bismuth Iodides A 3Bi2I9 (A= K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics. Chemistry of Materials. 27:7137–7148.
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2015. Crystal structure refinement and bonding patterns of CrB4: a boron-rich boride with a framework of tetrahedrally coordinated B atoms.. Inorganic Chemistry. 50(21):10540–10542.
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2011. Electronic properties of the topological kagome metals YV 6 Sn 6 and GdV 6 Sn 6. Physical Review B. 104:235139.
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2021. Electronic structure and photovoltaic application of BiI3. Applied Physics Letters. 107:131109.
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2015. Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.
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2016. Fermi surface nesting and the Lindhard response function in the kagome superconductor CsV3Sb5. Applied Physics Letters. 120:111901.
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2022. Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4. Physical Review B. 99:195148.
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2019. First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal of Physics: Condensed Matter. 26:155802.
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2014. A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal of Materials Chemistry. 22:18204.
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2012. High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2. Chemistry of Materials. 28(10):3367-3373.
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2016. Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum (IV) Iodides. Inorganic chemistry. 57:10375–10382.
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2018. Influence of plastic deformation on the magnetic properties of Heusler MnAu 2 Al. Physical Review Materials. 5:014408.
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2021. Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3–x Ce x Al5O12. Chemistry of Materials. 25:3979–3995.
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2013. Magnetocaloric behavior and magnetic ordering in MnPdGa. Physical Review Materials. 5:014414.
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2021. Magnetoentropic mapping and computational modeling of cycloids and skyrmions in the lacunar spinels GaV 4 S 8 and GaV 4 Se 8. Physical Review Materials. 5:054410.
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2021. Magnetostructural coupling from competing magnetic and chemical bonding effects. Physical Review Research. 2:042048.
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2020. Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy. 4:639–646.
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