Materials Literature
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Many approaches of coarse-graining have been developed under the names of Cosserat theory or polar-fluid theory, for those materials in which some component elements undergo non-affine deformations, such as elastic materials with inclusions or granular matters. For the complex elements such as living cells, however, t…
The Ruddlesden-Popper (RP) homologous series ${\mathrm{Sr}}_{n+1}{\mathrm{Ti}}_{n}{\mathrm{O}}_{3n+1}$ provides a useful template for the study and control of the effects of dimensionality and quantum confinement on the excited state properties of the complex oxide ${\mathrm{SrTiO}}_{3}$. We use ab initio many-body pe…
In plane orientation of magnetic easy axis of sputtered strontium hexaferrite thin films has been explained using classical Heisenberg Hamiltonian. The variation of average value of in plane spin component with temperature was plotted in order to determine the temperature at which easy axis is oriented in the plane of…
Transformation of carbon dioxide into carbon nanotubes, CNTs, by electrolysis in molten carbonates provides a low cost route to extract and store this greenhouse gas. CNTs are more stable, compact and valuable than fuels or other CO2 conversion products, providing an incentive to remove CO2 for climate mitigation. Pre…
Understanding the electronic and phononic transport properties of junctions consisting of a scattering region such as a nanoscale matters or molecules connected to two or more electrodes is the central basis for future nano and molecular scale applications. The theoretical and mathematical techniques to treat electron…
Cubic SrTiO$_{3}$ becomes tetragonal below 105 K. The antiferrodistortive (AFD) distortion leads to clockwise and counter-clockwise rotation of adjacent TiO$_{6}$ octahedra. This insulator becomes a metal upon the introduction of extremely low concentration of n-type dopants. However, signatures of the structural phas…
We study the temperature-dependent evolution of the octahedral tilt order in a lead-free relaxor ferroelectric and its impact on the ferroelectric properties. Using diffuse neutron scattering on a $0.964{\mathrm{Na}}_{1/2}{\mathrm{Bi}}_{1/2}{\mathrm{TiO}}_{3}\text{\ensuremath{-}}0.036{\mathrm{BaTiO}}_{3}$ single cryst…
The electronic structure modifications of WSe2 upon NO2-adsorption at room and low temperatures were studied by means of photoelectron spectroscopy. We found only moderate changes in the electronic structure, which are manifested as an upward shift of the WSe2-related bands to the smaller binding energies. The observe…
Temporal evolution of surface chemistry during oxidation of silicon quantum dot (Si-QD) surfaces were probed using surface-enhanced Raman scattering (SERS). A monolayer of hydrogen and chlorine terminated plasma-synthesized Si-QDs were spin-coated on silver oxide thin films. A clearly enhanced signal of surface modes,…
Low-temperature properties of crystalline solids can be understood using harmonic perturbations around a perfect lattice, as in Debye's theory. Low-temperature properties of amorphous solids, however, strongly depart from such descriptions, displaying enhanced transport, activated slow dynamics across energy barriers,…
Aerogels can be fabricated from pristine graphene exfoliated nanosheets using freeze gelation with nonaqueous solvents and no heat treatment or reduction stage. Solvents are selected that disperse pristine graphene with a melting point above room temperature but with a high vapor pressure above the solid at room tempe…
The growing demand for portable electronic devices means that lightweight power sources are increasingly sought after. Electric double layer capacitors (EDLCs) are promising candidates for use in lightweight power sources due to their high power densities and outstanding charge/discharge cycling stabilities. Three-dim…
Plasmonic nanostructures strongly localize electric fields on their surfaces via the collective oscillations of conducting electrons under stimulation by incident light at a certain wavelength. Molecules adsorbed onto the surfaces of plasmonic structures experience a strongly enhanced electric field due to the localiz…
Membranes made of stacked layers of graphene oxide (GO) hold the tantalizing promise of revolutionizing desalination and water filtration if selective transport of molecules can be controlled. We present the findings of an integrated study that combines experiment and molecular dynamics simulation of water intercalate…
Thermally conductive polymer composites have aroused significant academic and industrial interest for several decades. Herein, we report a novel fabrication method of graphite/polypropylene (PP) composites with high thermal conductivity in which graphite flakes construct a continuous thermally conductive network. The…
Understanding the design rules to obtain materials that enable a tight control of phonon transport over a broad range of frequencies would aid major developments in thermoelectric energy harvesting, heat management in microelectronics, and information and communication technology. Using atomistic simulations we show t…
Various aldehyde-containing photoswitches have been developed whose reactivity toward amines can be controlled externally. A thermally stable bifunctional diarylethene, which in its ring-closed form exhibits imine formation accelerated by one order of magnitude, was used as a photoswitchable crosslinker and mixed with…
Hexagonal crystalline ultrathin ReSe2 flakes are synthesized for the first time by a chemical vapor deposition (CVD) method. The as-synthesized ReSe2 flake is revealed as a novel structure, which has mirror-symmetric single-crystal domains inside, by polarization incident Raman and HRTEM. The successful development of…
Pyrene-based π-conjugated materials are considered to be an ideal organic electro-luminescence material for application in semiconductor devices, such as organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs) and organic photovoltaics (OPVs), and so forth. However, the great drawback of employ…
A number of marine organisms use muscle-controlled surface structures to achieve rapid changes in colour and transparency with outstanding reversibility. Inspired by these display tactics, we develop analogous deformation-controlled surface-engineering approaches via strain-dependent cracks and folds to realize the fo…