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Grand canonical simulations of electrochemical interfaces in implicit solvation models
Article discussing grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments.
Date:
August 31, 2018
Creator:
Hörmann, Nicolas; Andreussi, Oliviero & Marzari, Nicola
Object Type:
Article
System:
The UNT Digital Library
Electrodynamics of superlattices with ultra-thin metal layers: quantum Landau damping and band gaps with nonzero density of states
This article develops a theory of electromagnetic transmission through dielectric-metal superlattices with ultra-thin metal films, in which electron motion in the direction perpendicular to the metal surfaces is quantized.
Date:
October 16, 2018
Creator:
Castillo-López, S. G.; Krokhin, Arkadii A.; Makarov, N. M. & Pérez-Rodríguez, F.
Object Type:
Article
System:
The UNT Digital Library
Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe
Article describes study investigating spin Hall effect (SHE) in two prototypical Ferroelectric Rashba semiconductors (FERSCs), GeTe and SnTe, and show that it can be large either in ferroelectric or paraelectric structure.
Date:
January 24, 2020
Creator:
Wang, Haihang; Gopal, Priya; Picozzi, Silvia; Curtarolo, Stefano; Buongiorno Nardelli, Marco & Sławińska, Jagoda
Object Type:
Article
System:
The UNT Digital Library
A resonant single frequency molecular detector with high sensitivity and selectivity for gas mixtures
Article theoretically demonstrates a single low frequency gas detector that can be used for sensing of gas mixtures with high selectivity, accuracy, and sensitivity.
Date:
January 30, 2020
Creator:
Branković, Zorica & Rostovtsev, Yuri V.
Object Type:
Article
System:
The UNT Digital Library
Crystallographic texture dependent bulk anisotropic elastic response of additively manufactured Ti6Al4V
This article identifies a bulk texture effect on elastic anisotropy in laser powder bed fused Ti6Al4V by employing an effective bulk modulus elastography technique coupled with ultrasound shear wave velocity measurement at a frequency of 20 MHz inside the material.
Date:
January 12, 2021
Creator:
Pantawane, Mangesh V.; Yang, Teng; Jin, Yuqi; Joshi, Sameehan; Dasari, Sriswaroop; Sharma, Abhishek et al.
Object Type:
Article
System:
The UNT Digital Library
Terahertz spectroscopy of MOFs reveals dynamic structure and contact free ultrafast photoconductivity
Article describes how metal-organic frameworks (MOFs) are porous crystalline materials, and their large pores make them particularly interesting for membranes, gas separation, and gas storage. The authors discuss how gas-MOF interactions alter the MOFs' spectral fingerprints.
Date:
January 10, 2024
Creator:
Hamilton, Kendra & Neu, Jens
Object Type:
Article
System:
The UNT Digital Library