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Title: A Theory of Growing Crystalline Nanorods

Abstract

Energy harvesting and storage benefit from and depend on the design of nanomaterials such nanorods. Without design, the nanorods can take numerous configurations that correspond to local minima of energy. Focusing on the science of nanorod growth, the PI has developed a theoretical framework of nanorod growth, and designed and experimentally grown small and well-separated nanorods using physical vapor deposition. Building on the framework, this project in the next three years will focus on: (1) Identifying atomic mechanisms of step bunching and dissociation; (2) Analytically formulating the competition of monolayer and multiple-layer steps to derive closed-form expressions of monolayer and multiple-layer step populations and nanorod diameters; (3) Designing nanorods by using the scientific insights from the closed-form theory (as well as atomistic simulations); and (4) Exploring technological benefits of the scientific advancements. This research relies on the synergy of analytical formulations, atomistic simulations (density-functional-theory or DFT based ab initio, classical molecular dynamics, lattice kinetic Monte Carlo), and experiments; the prototype material is face-centered-cubic Cu. If successful, the proposed research will result in a scientific theory of nanorod growth, which in turn enables discoveries of new nanorods and subsequently innovations of energy technologies. As one example, the enabled discovery of smallmore » and well-separated metallic nanorods has subsequently led to the innovation of a technology - metallic glue in ambient. This technology has been covered in ~200 news reports in 20-30 countries during the first two months of 2016; examples of new agencies include Fortune Magazine, Popular Mechanics, Yahoo News, and Fox News.« less

Authors:
Publication Date:
Research Org.:
Northeastern Univ., Boston, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Contributing Org.:
Northeastern University
OSTI Identifier:
1559023
Report Number(s):
SC0014035
6173735558
DOE Contract Number:  
SC0014035
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Nanorods, Synthesis, Theory, Simulation, Experiment

Citation Formats

Huang, Hanchen. A Theory of Growing Crystalline Nanorods. United States: N. p., 2019. Web. doi:10.2172/1559023.
Huang, Hanchen. A Theory of Growing Crystalline Nanorods. United States. doi:10.2172/1559023.
Huang, Hanchen. Wed . "A Theory of Growing Crystalline Nanorods". United States. doi:10.2172/1559023. https://www.osti.gov/servlets/purl/1559023.
@article{osti_1559023,
title = {A Theory of Growing Crystalline Nanorods},
author = {Huang, Hanchen},
abstractNote = {Energy harvesting and storage benefit from and depend on the design of nanomaterials such nanorods. Without design, the nanorods can take numerous configurations that correspond to local minima of energy. Focusing on the science of nanorod growth, the PI has developed a theoretical framework of nanorod growth, and designed and experimentally grown small and well-separated nanorods using physical vapor deposition. Building on the framework, this project in the next three years will focus on: (1) Identifying atomic mechanisms of step bunching and dissociation; (2) Analytically formulating the competition of monolayer and multiple-layer steps to derive closed-form expressions of monolayer and multiple-layer step populations and nanorod diameters; (3) Designing nanorods by using the scientific insights from the closed-form theory (as well as atomistic simulations); and (4) Exploring technological benefits of the scientific advancements. This research relies on the synergy of analytical formulations, atomistic simulations (density-functional-theory or DFT based ab initio, classical molecular dynamics, lattice kinetic Monte Carlo), and experiments; the prototype material is face-centered-cubic Cu. If successful, the proposed research will result in a scientific theory of nanorod growth, which in turn enables discoveries of new nanorods and subsequently innovations of energy technologies. As one example, the enabled discovery of small and well-separated metallic nanorods has subsequently led to the innovation of a technology - metallic glue in ambient. This technology has been covered in ~200 news reports in 20-30 countries during the first two months of 2016; examples of new agencies include Fortune Magazine, Popular Mechanics, Yahoo News, and Fox News.},
doi = {10.2172/1559023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {8}
}