activity
20202024
most citedPhase Stability of Lead Phosphate Apatite PbCu(PO)O, PbCu(PO)(OH), and PbCu(PO)

14 citations · 15 across the 6 of their papers we have counts for

collaborators
Showing cond-mat.mtrl-sciShow all

5 papers · 1 filter

cond-mat.mtrl-sci2024★ 1 cited

Thermal stabilities Landscape of ABBO compounds

Yateng Wang, Bianca Baldassarri, Jiahong Shen +2

Perovskite oxides have been extensively studied for their wide range of compositions and structures, as well as their valuable properties for various applications. Expanding from s…

cond-mat.mtrl-sci2023★ 14 cited

Phase Stability of Lead Phosphate Apatite PbCu(PO)O, PbCu(PO)(OH), and PbCu(PO)

Jiahong Shen, Dale Gaines, Shima Shahabfar +8

Recently, Cu-substituted lead apatite LK-99 was reported to have room-temperature ambient-pressure superconductivity. Here we utilize density functional theory (DFT) total energy a…

cond-mat.mtrl-sci2023

Accelerated Screening of Ternary Chalcogenides for High-Performance Optoelectronic Materials

Chen Shen, Tianshu Li, Yixuan Zhang +7

Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent cont…

cond-mat.mtrl-sci2021

Scale-invariant Machine-learning Model Accelerates the Discovery of Quaternary Chalcogenides with Ultralow Lattice Thermal Conductivity

Koushik Pal, Cheol Woo Park, Yi Xia +2

Intrinsically low lattice thermal conductivity () is a desired requirement in many crystalline solids such as thermal barrier coatings and thermoelectrics. Here, we design an…

cond-mat.mtrl-sci2020

Accelerated Discovery of a Large Family of Quaternary Chalcogenides with very Low Lattice Thermal Conductivity

Koushik Pal, Yi Xia, Jiahong Shen +4

The development of efficient thermal energy management devices such as thermoelectrics, barrier coatings, and thermal data-storage disks often relies on compounds that possess very…