arXiv subjects

Prashant K. Jain

Publications and source records attributed to Prashant K. Jain.

4 recordsLinked to original sources

arXiv2023

Superionic phase transition of copper(I) sulfide and its implication for purported superconductivity of LK-99

Lee, Kim, and coworkers have recently claimed room-temperature and ambient-pressure superconductivity in a copper-doped lead apatite material named LK-99. However, the polycrystalline material synthesized has a significant fraction of copper(I) sulfide. Copper(I) sulfide has a known phase transition at 104 degrees C from an ordered low-temperature phase to a high-temperature superionic phase. As a result of this phase transition, copper(I) sulfide exhibits sharp transitions in electrical resistivity and heat capacity, which are expected to coincide with the temperature-induced transitions reported for LK-99. This implies that LK-99 must be synthesized without any copper(I) sulfide to allow unambiguous validation of the superconducting properties of LK-99.

cond-mat.supr-con↗

arXiv2020

Phenomenological Arrhenius Analyses in Plasmon-Enhanced Catalysis

A range of chemical reactions occurring on the surfaces of metal nanoparticles exhibit enhanced rates under plasmonic excitation. Recent analyses based on Arrhenius law fitting have argued in favor of a purely photothermal mechanism of enhancement and suggested the lack of an involvement of hot electrons. However, there is a caveat as shown here: under certain scenarios, it is practically impossible to distinguish between a photochemical (non-thermal) effect of plasmonic excitation and a purely photothermal one using a phenomenological Arrhenius fitting of the reaction rates alone.

physics.chem-ph↗

arXiv2019

Taking the Heat Off of Plasmonic Chemistry

Several chemical reactions catalyzed by plasmonic nanoparticles show enhanced rates under visible-light-excitation of the localized surface plasmon resonance of the nanoparticles. But it has been argued that there is an associated photothermal effect that can complicate the analysis and/or interpretation of the nature of the role played by plasmon excitation. This Viewpoint discusses this dilemma and provides some best practices for accounting for photothermal contributions in plasmon-excitation-driven chemistry. A classification of plasmonic chemistry into plasmonic photocatalysis and plasmonic photosynthesis is also proposed. It is argued that photosynthetic reactions, which require a Gibb's free energy input, constitute an ultimate test of the non-thermal, photochemical action of plasmon excitation.

physics.chem-ph↗

arXiv2006

Density Functional Theory study of the low-energy electronic structures and properties of small gold clusters : Zigzag gold nanoclusters

Gold clusters Aun of size n = 2 to 12 atoms were studied by the density-functional theory with an ab-initio pseudopotential and a generalized gradient approximation. Geometry optimizations starting from a number of initial candidate geometries were performed for each cluster size, so as to determine a number of possible low-energy isomers for each size. Along with the lowest-energy structures, metastable structures were obtained for many cluster sizes. Interestingly, a metastable planar zigzag arrangement of Au atoms was obtained for every cluster size n > = 5. The stable electronic structure, binding energy, relative stability and HOMO-LUMO gap for the lowest-energy isomer were calculated for each cluster size. Variation of the electronic properties with size is investigated in this paper and compared with experimental results and other calculations.

cond-mat.other↗