材料科学
We study broadband terahertz (THz) conductivity and ultrafast photoconductivity spectra in lithographically fabricated multilayer epitaxial graphene nanoribbons grown on C- face of 6H-SiC substrate. THz near-field spectroscopy reveals local…
Dopants can tune the performance of MoS2 in various applications, but use of molecular dynamics simulations for doped MoS2 materials discovery is limited by the lack of multi-dopant interatomic potentials. Universal machine learning…
We measured the thermal conductivity of the rare-earth orthoferrites, $R$FeO$_3$, where $R$ = Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb from 3 K to 300 K and see an anomalous strong suppression for TmFeO$_3$ over most of the temperature range.…
Ruddlesden-Popper (RP) chalcogenides are stable, non-toxic candidates for optoelectronic or thermoelectric applications. The structural diversity of RP oxides is already exploited to tune properties or achieve more advanced functionalities…
Silicon carbide (SiC) hosts a number of point defects that are being explored as single-photon emitters for quantum applications. Unfortunately, these quantum emitters lose their photostability when placed in proximity to the surface of the…
We carried out a comprehensive crystal structure characterization of Ti-doped lithium ruthenate (Li$_2$Ti$_x$Ru$_{1-x}$O$_3$), to investigate the effect of Ti-doping on the structural phase transition. Experimental tools sensitive to the…
Optical pump-terahertz probe spectroscopy has been used to investigate ultrafast photo-induced charge carrier transport in 3.4 $\mu$m wide graphene ribbons upon scaling the optical pump intensity. For low pump fluences, the deposited pump…
Tin selenide (SnSe) is a van der Waals (vdW) layered post-transition metal monochalcogenide compound which is promising for a wide range of device applications when its thickness is reduced to a few layers. Hence, developing a mature…
Pump-probe optical methods like transient grating spectroscopy (TGS) enable rapid, nondestructive thermoelastic property measurements. But, in phonon-dominated ceramics, they can underpredict bulk thermal diffusivity when long mean free…
Generative machine learning models can potentially provide direct access to novel and relevant portions of the full chemical space, overcoming the cost of systematic sampling. However, the training of these models generally requires a large…
2D materials exhibiting in-plane anisotropy enable novel functionality in electronic, optoelectronic, and photonic devices, yet their availability is generally limited to naturally-occurring low-symmetry van der Waals compounds. Here, we…
First-principles investigations of electron-phonon interactions (EPIs) play a crucial role in understanding a wide range of phenomena in physics and materials science. Among various approaches, the finite difference method offers a direct…
X-ray Photoelectron Spectroscopy (XPS) is a powerful technique to probe chemical states and interfacial processes in battery materials, but a quantitative interpretation is often hindered by the complex, heterogeneous microstructures that…
Single-crystal X-ray diffraction and nonlinear optical measurements, especially second- and third-harmonic generation (SHG/THG) are comprehensively investigated for the van der Waals layered material AgScP2S6 with a non-centrosymmetric P31c…
In this study, the influence of pure dislocation and hydrogen-dislocation interactions on anelastic response or internal friction relaxation peaks in bcc-iron was investigated. These relaxations are primarily governed by thermally activated…
All-solid-state lithium-ion batteries have renewed interest in high-performance solid electrolytes. Li3PS4 (Li2S-P2S5) glasses are among the most studied due to their high ionic conductivity, traditionally ascribed to rotational motion of…
Adequate characterization of two-dimensional materials with low energy barriers for impurity adsorption is key for advancing applications based on catalysis, sensing, and surface functionalization. However, first-principles methods, such as…
The present study investigates photochromic oxygen-containing yttrium hydride (YHO) thin films deposited by reactive high power impulse magnetron sputtering (HiPIMS) and compares their photochromic, optical, and structural properties with…
In materials science, the selection of structural descriptors for machine learning protocols strongly influences predictive performance and the degree of physical interpretability that can be achieved from the derived models. Although more…
Molybdenum disulfide (MoS2) has emerged as a promising, cost-effective catalyst for hydrogen production via water splitting. We investigate the structural and electrocatalytic properties of MoS2 thin films deposited on different substrates…