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We present a pipeline to study the device performance of organic solar cells in silico. We introduce a mathematical model that includes the dynamics of excitons as well as their dissociation at bulk heterojunctions within the nanomorphology…
Nanoporous carbon-based supercapacitors store electricity through adsorption of ions from the electrolyte at the surface of the electrodes. Room temperature ionic liquids, which show the largest ion concentrations among organic liquid…
The recent discovery of superconductivity in $\rm La_3Ni_2O_7$ has attracted significant attention due to its high critical temperature and analogy to cuprate oxides. The oxidation and spin states of Ni ions are among the most important…
The near-field scanning optical microscopy images of excitonic wavefunctions in self-assembled InAs/GaAs quantum dots are calculated using an empirical pseudopotential method, followed by the configuration interaction (CI) treatment of…
Compton scattering is one of the promising probe to quantitate of the Li under in-operando condition, since high-energy X-rays which have high penetration power into the materials are used as incident beam and Compton scattered energy…
We consider the factors that affect the photoactivity of silicon electrodes for the water-splitting reaction using a self-consistent continuum solvation (SCCS) model of the solid-liquid interface. This model allows us to calculate the…
A simple refluxing wet-chemical approach is employed for fabricating In2S3/Pt-TiO2 heterogeneous catalysts for hydrogen generation under visible light irradiation. When the mass ratio between Pt-TiO2 and cubic-phased In2S3 (denoted as…
This work develops an analytical model to consistently interpret the steady-state and small-perturbation response (both in the time and frequency domain) of photoanodes for solar water-splitting. In addition to accounting for the…
Lortz et al. [Phys. Rev. B 73, 024512 (2006)] have utilized specific heat and resistivity measurements as "thermal spectroscopies" to deconvolve the spectrum of the electron-phonon interaction in YB$_6$ assuming a major role of the low…
Porous poly(ionic liquid)s (PILs) recently have been actively serving as a multifunctional, interdisciplinary materials platform in quite a few research areas, including separation, catalysis, actuator, sensor, and energy storage, just to…
Surface strain is widely used in gas phase catalysis and electrocatalysis to control the binding energies of adsorbates on metal surfaces. However, $in$ $situ$ or $operando$ strain measurements are experimentally challenging, especially on…
Optical methods for monitoring the electrochemical reaction at the interface are advantageous because of their table-top setup and ease of integration into reactors. Here we apply EDL-modulation microscopy to one of the main components of…
The current state of the art in direct water splitting in photo-electrochemical cells (PECs) is presented together with: (i) a case study of water splitting using a simple solar cell with the most efficient water splitting electrodes and…
Tailoring the properties of correlated oxides is accomplished by chemical doping, pressure, temperature or magnetic field. Photoexcitation is a valid alternative to reach out-of-equilibrium states otherwise inaccessible. Here, we…
We study the thermodynamic behavior of nonpolar liquid mixtures in the vicinity of curved charged objects, such as electrodes or charged colloids. For small enough charge on the object, or equivalently, small potential, the…
Supercapacitors are promising electrochemical energy storage devices due to their prominent performance in rapid charging/discharging rates, long cycle life, stability, etc. Experimental measurement and theoretical prediction on charging…
Probing optical excitations with nanometer resolution is important for understanding their dynamics and interactions down to the atomic scale. Electron microscopes currently offer the unparalleled ability of rendering spatially-resolved…
In this work we present a simulation of the semiconductor electrodes of photoelectrochemical (PEC) water splitting cells based on the nonequilibrium Green's function (NEGF) formalism. While the performance of simple PEC cells can be…
Achieving homogeneous performance metrics between nominally identical pixels is challenging for the operation of arrays of superconducting nanowire single-photon detectors (SNSPDs). Here, we utilize local helium ion irradiation to…