activity
20022023
most citedImplicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

3.1k citations · 4.6k across the 35 of their papers we have counts for

collaborators

38 papers

cond-mat.mtrl-sci2023★ 2 cited

Charge State-Dependent Symmetry Breaking of Atomic Defects in Transition Metal Dichalcogenides

Feifei Xiang, Lysander Huberich, Preston A. Vargas +11

The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strong…

cond-mat.mtrl-sci2023★ 5 cited

ZrNb(CO) RF superconducting thin film with high critical temperature in the theoretical limit

Zeming Sun, Thomas Oseroff, Zhaslan Baraissov +11

Superconducting radio-frequency (SRF) resonators are critical components for particle accelerator applications, such as free-electron lasers, and for emerging technologies in quant…

cond-mat.supr-con2023★ 6 cited

Nb-substitution suppresses the superconducting critical temperature of pressurized MoB

J. Lim, S. Sinha, A. C. Hire +9

A recent work has demonstrated that MoB, transforming to the same structure as MgB (), superconducts at temperatures above 30 K near 100 GPa [C. Pei . Natl…

cond-mat.supr-con2022★ 12 cited

High critical field superconductivity at ambient pressure in MoB stabilized in the P6/mmm structure via Nb substitution

A. C. Hire, S. Sinha, J. Lim +7

Recently it was discovered that, under elevated pressures, MoB exhibits superconductivity at a critical temperature, , as high as 32 K. The superconductivity appears to de…

cond-mat.supr-con2022

Theory of Nb-Zr Alloy Superconductivity and First Experimental Demonstration for Superconducting Radio-Frequency Cavity Applications

Nathan S. Sitaraman, Zeming Sun, Ben Francis +8

Niobium-zirconium (Nb-Zr) alloy is an old superconductor that is a promising new candidate for superconducting radio-frequency (SRF) cavity applications. Using density-functional a…

cond-mat.mes-hall2022

Magnetic molecule tunnel heterojunctions

Xuanyuan Jiang, Andrew Brooks, Shuanglong Liu +6

We characterize molecular magnet heterojunctions in which sublimated CoPc films as thin as 5 nm are sandwiched between transparent conducting bottom-layer indium tin oxide and top-…