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Active, selective and stable catalysts are imperative for sustainable energy conversion, and engineering materials with such properties are highly desired. High-entropy alloys (HEAs) offer a vast compositional space for tuning such…
The mechanistic underpinnings of asymmetric catalysis at atomic levels provide shortcuts for developing the potential value of chiral catalysts beyond the current state-of-the-art. In the enantioselective redox transformations, the present…
Plasmons can drive chemical reactions by directly exciting intramolecular transitions. However, strong coupling of plasmons to single molecules remains a challenge as ultra-small mode volumes are required. In the presented work, we propose…
Bio-orthogonal click chemistry has become an indispensable part of the biochemist's toolbox. Despite the wide variety of applications that have been developed in recent years, only a limited number of bio-orthogonal click reactions have…
Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show…
We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…
The development of high-intensity ultrashort laser pulses unlocks the potential of pump-probe spectroscopy in sub-femtosecond timescale. Notably, subcycle pump pulses can generate electronic states unreachable by conventional multicycle…
Electronic structure descriptors are computationally efficient quantities used to construct qualitative correlations for a variety of properties. In particular, the oxygen p-band center has been used to guide material discovery and…
Transition metal di-iodides such as FeI2, NiI2 and CoI2 are an emerging class of 2D magnets exhibiting rich and diverse magnetic behaviour, but their study at the monolayer limit has been severely hindered by fabrication challenges due to…
The formation of hydrides by gas-phase reactions between H2 and a heavy element atom is a very selective process. Reactions with ground-state neutral carbon, oxygen, nitrogen, and sulfur atoms are very endoergic and have high energy…
The complexity of the topological and combinatorial configuration space of MXenes can give rise to gigantic design challenges that cannot be addressed through traditional experimental or routine theoretical approaches. To this end, we…
Single-atom catalysts (SACs) have attracted ever-growing interest due to their high atom-utilization efficiency and potential for cost-effective of hydrogen production. However, enhancing the hydrogen evolution reaction (HER) performance…
In this study, we developed a new proton detector system called CATCH, which was designed for a scattering experiment involving a $\Sigma$ hyperon and a proton (J-PARC E40). CATCH is a cylindrical detector system covering an inner target…
An experimental group at Beijing[Yueyang Zhai, ${\it et. al.}$, Phys. Rev. A ${\bf 87}$, 063638 (2013)] introduced the method of standing-wave pulse sequence for efficiently preparing ultracold bosonic atoms into a specific excited band in…
Titanium based-perovskites have got surprising attraction due to their environmentfriendly photocatalysts behavior. The Rietveld refinement of X-ray diffraction (XRD) pattern authenticates the orthorhombic Pnma structure of Pr2MgTiO6 (PMT).…
A precise detection of palladium (Pd) ions is a critical challenge with significant socio-economic implications across various industrial and chemical sectors. Due to its widespread use and poor biodegradability, Pd2+ accumulates in…
Accurate and efficient characterization of nanoparticles (NPs), particularly regarding particle size distribution, is essential for advancing our understanding of their structure-property relationships and facilitating their design for…
In photocatalysis, the reusability limit of catalysts can contribute to secondary pollution, posing ecological risks. Addressing this, the present study explores the integration of additive manufacturing with photocatalysis by decorating…
Velocity profiles of ground state lines of H2D+, HC18O+ and N2H+, observed previously with the CSO and IRAM 30m telescopes, are modeled with a Monte Carlo radiative transfer program to study the temperature, density and velocity structure…
Quantum sensors using solid-state spin defects excel in the detection of radiofrequency (RF) fields, serving various purposes in communication, ranging, and sensing. For this purpose, pulsed dynamical decoupling (PDD) protocols are…