Revelation of Structure-Property Relationships of Polymers Using Molecular Simulation
利用分子模拟揭示聚合物的结构-性能关系
基本信息
- 批准号:203144-2012
- 负责人:
- 金额:$ 2.48万
- 依托单位:
- 依托单位国家:加拿大
- 项目类别:Discovery Grants Program - Individual
- 财政年份:2015
- 资助国家:加拿大
- 起止时间:2015-01-01 至 2016-12-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
Environmental issues related to energy production from fossil fuels and soaring crude oil prices have been the main stimulants for the development of renewable energy resources. In fact, energy from one hour of sunlight striking on Earth is more than all of the energy consumed by mankind in an entire year and finding a suitable way to capture this form of energy could definitely solve energy concerns of the human race forever. Advent of organic semiconductors in the early 80s made it possible to fabricate solar cells from polymers. The advantages of these so-called plastic solar cells include lightweight, versatility of chemical structure, mechanical flexibility and ease of processing (inexpensive). However, there are still two major hurdles that need to be overcome and they are the power conversion efficiency (~ 8.3%, latest reported value) and durability (~ 1 year). It is expected that efficiencies of 10% or higher and device lifetimes of around 10 years will make this technology commercially viable. Most recently, preliminary results of various researchers have shown that conjugated di-block copolymers may help overcome the first hurdle as such materials exhibit a variety of controllable nano-scale morphology needed for high power conversion efficiency. To address both the power conversion efficiency and durability issues, I propose to use multiple tri-block copolymers. The basic idea is that beside the two blocks of the tri-block copolymers having the desired electronic properties, the third block will have strong affinity for the electrodes and/or transport layer and the ability to reduce the diffusivity of oxygen and water, the compounds that are believed to cause degradation of the active layer in polymer solar cells. Use of multiple tri-block copolymers will make the solar cell to absorb maximum portion of incident sunlight. In particular, I will apply molecular simulation techniques to study structure-property relationship of various tri-block copolymers. It is expected that insights generated in the proposed work will allow us to better design polymer solar cells.
与化石燃料能源生产有关的环境问题和原油价格飞涨一直是促进可再生能源发展的主要因素。 事实上,太阳光照射地球一个小时所产生的能量比人类一年所消耗的能量还要多,找到一种合适的方法来捕获这种能量,绝对可以永远解决人类的能源问题。 80年代初有机半导体的出现使得用聚合物制造太阳能电池成为可能。 这些所谓的塑料太阳能电池的优点包括重量轻,化学结构的多功能性,机械灵活性和易于加工(廉价)。 然而,仍有两个主要障碍需要克服,它们是功率转换效率(约8.3%,最新报告值)和耐用性(约1年)。 预计10%或更高的效率和大约10年的设备寿命将使该技术在商业上可行。 最近,各种研究人员的初步结果表明,共轭二嵌段共聚物可能有助于克服第一个障碍,因为这种材料表现出高功率转换效率所需的各种可控纳米级形态。 为了解决功率转换效率和耐用性问题,我建议使用多种三嵌段共聚物。 基本思想是,除了具有所需电子性能的三嵌段共聚物的两个嵌段之外,第三嵌段将对电极和/或传输层具有强亲和力,并且能够降低氧气和水的扩散率,这些化合物被认为会导致聚合物太阳能电池中活性层的降解。 多个三嵌段共聚物的使用将使太阳能电池吸收入射太阳光的最大部分。 特别地,我将应用分子模拟技术来研究各种三嵌段共聚物的结构-性能关系。 预计在拟议的工作中产生的见解将使我们能够更好地设计聚合物太阳能电池。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Choi, Phillip其他文献
Thermodynamic properties of poly(vinyl alcohol) with different tacticities estimated from molecular dynamics simulation
- DOI:
10.1016/j.polymer.2013.05.073 - 发表时间:
2013-07-19 - 期刊:
- 影响因子:4.6
- 作者:
Noorjahan, Abolfazl;Choi, Phillip - 通讯作者:
Choi, Phillip
Simulation of chain folding in polyethylene: A comparison of united atom and explicit hydrogen atom models
- DOI:
10.1016/j.polymer.2010.04.049 - 发表时间:
2010-06-07 - 期刊:
- 影响因子:4.6
- 作者:
Li, Chunli;Choi, Phillip;Sundararajan, P. R. - 通讯作者:
Sundararajan, P. R.
Roles of Nonpolar and Polar Intermolecular Interactions in the Improvement of the Drug Loading Capacity of PEO-b-PCL with Increasing PCL Content for Two Hydrophobic Cucurbitacin Drugs
- DOI:
10.1021/bm900512h - 发表时间:
2009-09-01 - 期刊:
- 影响因子:6.2
- 作者:
Patel, Sarthak K.;Lavasanifar, Afsaneh;Choi, Phillip - 通讯作者:
Choi, Phillip
Wetting Behavior of Nanoscale Thin Films of Selected Organic Compounds and Water on Model Basal Surfaces of Kaolinite
- DOI:
10.1021/jp305223w - 发表时间:
2012-12-20 - 期刊:
- 影响因子:3.7
- 作者:
Ni, Xiao;Choi, Phillip - 通讯作者:
Choi, Phillip
Thickness Dependence of the Diffusivity and Solubility of Cyclohexane in Nanoscale Bitumen Films
- DOI:
10.1021/acsomega.9b03331 - 发表时间:
2019-12-17 - 期刊:
- 影响因子:4.1
- 作者:
Kislitsin, Vadim;Choi, Phillip - 通讯作者:
Choi, Phillip
Choi, Phillip的其他文献
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{{ truncateString('Choi, Phillip', 18)}}的其他基金
Conversion of lignin into dielectric materials for renewable energy storage
将木质素转化为用于可再生能源存储的介电材料
- 批准号:
RGPIN-2017-04895 - 财政年份:2021
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Conversion of lignin into dielectric materials for renewable energy storage
将木质素转化为用于可再生能源存储的介电材料
- 批准号:
RGPIN-2017-04895 - 财政年份:2020
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Conversion of lignin into dielectric materials for renewable energy storage
将木质素转化为用于可再生能源存储的介电材料
- 批准号:
RGPIN-2017-04895 - 财政年份:2019
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Conversion of lignin into dielectric materials for renewable energy storage
将木质素转化为用于可再生能源存储的介电材料
- 批准号:
RGPIN-2017-04895 - 财政年份:2018
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Conversion of lignin into dielectric materials for renewable energy storage
将木质素转化为用于可再生能源存储的介电材料
- 批准号:
RGPIN-2017-04895 - 财政年份:2017
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Revelation of Structure-Property Relationships of Polymers Using Molecular Simulation
利用分子模拟揭示聚合物的结构-性能关系
- 批准号:
203144-2012 - 财政年份:2016
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Revelation of Structure-Property Relationships of Polymers Using Molecular Simulation
利用分子模拟揭示聚合物的结构-性能关系
- 批准号:
203144-2012 - 财政年份:2014
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Revelation of Structure-Property Relationships of Polymers Using Molecular Simulation
利用分子模拟揭示聚合物的结构-性能关系
- 批准号:
203144-2012 - 财政年份:2013
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
Revelation of Structure-Property Relationships of Polymers Using Molecular Simulation
利用分子模拟揭示聚合物的结构-性能关系
- 批准号:
203144-2012 - 财政年份:2012
- 资助金额:
$ 2.48万 - 项目类别:
Discovery Grants Program - Individual
An Inverse Gas Chromatographic System for the Charaterization of Biopolymers
用于表征生物聚合物的反相气相色谱系统
- 批准号:
423083-2012 - 财政年份:2011
- 资助金额:
$ 2.48万 - 项目类别:
Research Tools and Instruments - Category 1 (<$150,000)
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