Výsledky vyhledávání - "Daniel Willhelm"

Predicting Van der Waals Heterostructures by a Combined Machine Learning and Density Functional Theory Approach

Autor: Daniel Willhelm, Nathan Wilson, Raymundo Arroyave, Xiaoning Qian, Tahir Cagin, Ruth Pachter, Xiaofeng Qian

Publikováno v: ACS applied materialsinterfaces. 14(22)

Van der Waals (vdW) heterostructures are constructed by different two-dimensional (2D) monolayers vertically stacked and weakly coupled by van der Waals interactions. VdW heterostructures often possess rich physical and chemical properties that are u

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12e2de0a09aa3ba60a3e39a39b2b0ab8
https://pubmed.ncbi.nlm.nih.gov/35622945

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Batch active learning for accelerating the development of interatomic potentials

Autor: Nathan Wilson, Daniel Willhelm, Xiaoning Qian, Raymundo Arróyave, Xiaofeng Qian

Publikováno v: Computational Materials Science. 208:111330

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::284a8e0a8fda0b709c2fbcb86bfc49c0
https://doi.org/10.1016/j.commatsci.2022.111330

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Surface Functionalization Utilizing Mesoporous Silica Nanoparticles for Enhanced Evanescent-Field Mid-Infrared Waveguide Gas Sensing

Autor: Ricardo Gutierrez-Osuna, Svetlana A. Sukhishvili, Diana Al Husseini, Daniel Willhelm, Pao Tai Lin, Yashaswini Karanth, Xiaofeng Qian, Gerard L. Coté, Junchao Zhou

Publikováno v: Coatings
Volume 11
Issue 2
Coatings, Vol 11, Iss 118, p 118 (2021)

This work focuses on the development of nanoparticle-based layer-by-layer (LbL) coatings for enhancing the detection sensitivity and selectivity of volatile organic compounds (VOCs) using on-chip mid-infrared (MIR) waveguides (WGs). First, we demonst

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2839c57c1d49e5527e5b9adac2d03c3

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All-nanoparticle layer-by-layer coatings for Mid-IR on-chip gas sensing

Autor: Diana Al Husseini, Gregory S. Day, Trevor Hastings, Svetlana A. Sukhishvili, Xiaofeng Qian, Daniel Willhelm, Ricardo Gutierrez-Osuna, Hong-Cai Zhou, Pao Tai Lin, Junchao Zhou, Gerard L. Coté

Publikováno v: Chemical communications (Cambridge, England). 56(91)

Functionalization of optical waveguides with submicron coatings of zinc peroxide (ZnO2) and silica (SiO2) nanoparticles (NPs) is reported that enabled selective concentration of acetone vapors in the vicinity of the waveguide, boosting the sensitivit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10949e10825ba0b85fd34a458fd3a846
https://pubmed.ncbi.nlm.nih.gov/33130831

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