Search Results - "Kudin, T. I. T"
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Experimental and First-Principles Investigations of Lattice Strain Effect on Electronic and Optical Properties of Biotemplated BiFeO3 Nanoparticles
Published in Journal of physical chemistry. C (17-11-2016)“…High purity BiFeO3 nanoparticles were successfully prepared by employing a green and facile biotemplated method which utilized polysaccharides of…”
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Electrical and physical studies on 49% methyl-grafted natural rubber-based composite polymer gel electrolytes
Published in Electrochimica acta (15-12-2011)“…The electrical properties of composite polymer electrolyte systems composed of 49% poly(methyl methacrylate) (PMMA) grafted natural rubber (MG49) host polymer,…”
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First Principles LDA+U Calculations for ZnO Materials
Published in Integrated ferroelectrics (24-07-2014)“…The electronic, structural, elastic, and optical properties of zinc oxide (ZnO) with wurtzite-type structure were investigated using first-principles…”
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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO3
Published in Ferroelectrics (03-01-2014)“…The properties of tetragonal (P4 mm, 99 space group) SnTiO 3 were investigated via first-principles implemented in CASTEP computer code. The calculation of…”
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Determination of Electronic Structure and Band Gap of Li2MnP2O7 via First-Principle Study
Published in Integrated ferroelectrics (24-07-2014)“…The pyrochlore Li 2 MnP 2 O 7 structure is an important new class of cathode for lithium ion batteries. First-principle calculations of ferromagnetic and…”
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First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO3 (A = Pb,Sn,Ge)
Published in Integrated ferroelectrics (24-07-2014)“…The structural, electronic, and optical properties of the special lone pair ferroelectric materials with tetragonal structures, namely, PbTiO 3 , SnTiO 3 , and…”
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Influences of Epitaxial Strain and Volume on BaTiO3: Ab Initio Total Energy Calculation
Published in Integrated ferroelectrics (24-07-2014)“…Using an ab initio total energy calculations based on density functional theory (DFT), out-of-plane c-axis strain is found to be highly oriented to BaTiO 3…”
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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO 3
Published in Ferroelectrics (03-01-2014)Get full text
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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO^sub 3
Published in Ferroelectrics (01-01-2014)“…The properties of tetragonal (P4 mm, 99 space group) SnTiO... were investigated via first-principles implemented in CASTEP computer code. The calculation of…”
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Journal Article -
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Determination of Electronic Structure and Band Gap of Li 2 MnP 2 O 7 via First-Principle Study
Published in Integrated ferroelectrics (24-07-2014)Get full text
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First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO 3 (A = Pb,Sn,Ge)
Published in Integrated ferroelectrics (24-07-2014)Get full text
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Influences of Epitaxial Strain and Volume on BaTiO 3 : Ab Initio Total Energy Calculation
Published in Integrated ferroelectrics (24-07-2014)Get full text
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First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO 3
Published in Ferroelectrics (01-01-2013)Get full text
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First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO3
Published in Ferroelectrics (01-01-2013)“…The properties of cubic (Pm3m, 221 space group) GeTiO 3 were investigated via the first principles method implemented in CASTEP computer code. The elastic…”
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Electrochemical Studies of Composite Cellulose Acetate-Based Polymer Gel Electrolytes for Proton Batteries
Published in Proceedings of the National Academy of Sciences, India, Section A, physical sciences (01-03-2012)“…An experimental investigation is performed on proton conducting polymer gel electrolyte nano-composites based on cellulose acetate, dispersed with nano-sized…”
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Influences of Epitaxial Strain and Volume on BaTiO^sub 3^: Ab Initio Total Energy Calculation
Published in Integrated ferroelectrics (01-01-2014)“…Using an ab initio total energy calculations based on density functional theory (DFT), out-of-plane c-axis strain is found to be highly oriented to BaTiO^sub…”
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Journal Article -
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First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO^sub 3
Published in Ferroelectrics (01-01-2013)“…The properties of cubic (Pm3m, 221 space group) GeTiO... were investigated via the first principles method implemented in CASTEP computer code. T he elastic…”
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Journal Article -
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Determination of Electronic Structure and Band Gap of Li^sub 2^MnP^sub 2^O^sub 7^ via First-Principle Study
Published in Integrated ferroelectrics (01-01-2014)“…The pyrochlore Li^sub 2^MnP^sub 2^O^sub 7^ structure is an important new class of cathode for lithium ion batteries. First-principle calculations of…”
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Journal Article -
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First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO^sub 3^ (A = Pb,Sn,Ge)
Published in Integrated ferroelectrics (01-01-2014)“…The structural, electronic, and optical properties of the special lone pair ferroelectric materials with tetragonal structures, namely, PbTiO^sub 3^, SnTiO^sub…”
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