From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility

	From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility
	Chang YF ; Lu ZY ; An LJ ; Zhang JP
刊名	journal of physical chemistry c
	2012
卷号	116 期号:1 页码:1195-1199
关键词	FIELD-EFFECT TRANSISTORS VIBRATIONAL REORGANIZATION ENERGY CHARGE-TRANSPORT HETEROCYCLIC OLIGOMERS CONJUGATED OLIGOMERS HOPPING TRANSPORT ELECTRON-TRANSFER HOLE MOBILITIES SEMICONDUCTORS PARAMETERS
ISSN号	1932-7447
通讯作者	lu zy
中文摘要	the reorganization energy and the charge transfer integral between the initial and final states are two key parameters of charge transport. in this study, we find that the internal reorganization energies of molecules can be reduced effectively by cyanation on the tetracene molecule, which is helpful to improve the carrier mobilities of investigated molecules. on the basis of the polymorph predictor, the appreciated crystal structures of 5-cyanotetracene (1ct), 5,11-dicyanotetracene (2ct), and 5,6,11,12-tetracyanotetracene (4ct) with pi-pi stacking favorable to enhance the charge transfer integral were obtained. benefiting from a low internal reorganization energy and dense packing structure, high hole motilities (6.0 and 6.2 cm(2) v-1 s(-1) for 1ct-9 and 4ct-2, respectively) were achieved. both 1ct-9 and 4ct-2 are promising candidates for high carrier mobility organic optoelectronic functional materials. the process that constructs crystal structures from single molecules provides a rational way for the search of high-performance organic photovoltaic materials.
收录类别	SCI收录期刊论文
语种	英语
WOS记录号	WOS:000298978700148
公开日期	2013-06-09
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/48396]
专题	长春应用化学研究所_长春应用化学研究所知识产出_期刊论文
推荐引用方式 GB/T 7714	Chang YF,Lu ZY,An LJ,et al. From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility[J]. journal of physical chemistry c,2012,116(1):1195-1199.
APA	Chang YF,Lu ZY,An LJ,&Zhang JP.(2012).From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility.journal of physical chemistry c,116(1),1195-1199.
MLA	Chang YF,et al."From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility".journal of physical chemistry c 116.1(2012):1195-1199.