摻雜和缺陷對碳納米管電子結(jié)構(gòu)和光學(xué)性質(zhì)的影響.pdf

1、湖南大學(xué)碩士學(xué)位論文摻雜和缺陷對碳納米管電子結(jié)構(gòu)和光學(xué)性質(zhì)的影響姓名：張麗娟申請學(xué)位級別：碩士專業(yè)：凝聚態(tài)物理指導(dǎo)教師：胡慧芳20090510摻雜和缺陷對碳納米管電了結(jié)構(gòu)和光學(xué)悱質(zhì)的影響AbstractSingle—walledcarbonnanotubes，asanovelone—dimensionalmaterial，havebeenbecomeafocusofphysical，chemical，materialandbiologi

2、calfields，duetotheiruniquestructuresandelectronicpropertiessincetheirdiscoverybyIijimain1991Manypeoplehavestudiedthestructuraldefectsandtheireffectonthetransportpropertiesofcarbonnanotubes，butthestudyontheelectronicstruc

3、tureandopticalpropertiesinavarietyofdefectsisverylittleTherefore，theresearchoftheelectronicstructureandopticalpropertiesonthecomplexdefectsisparticularlyimportantUsingthefirstprinciplesdensityfunctionaltheory，thepapersys

4、tematicallyexploresthecomplexdefectssystems，includingsubstitutivedoping，StoneWales(sw)defectsandboron／nitrogenCO—dopingSomehelpfulresultsaresignificantforthepracticalpreparationanddevelopmentofthenanotubesbasedphotoelect

5、ricdevicesThepaperalsotakesintoaccountbothStoneWalesdefectsandnitrogensubstitutivedopingeffectoftheelectronicstructureandopticalpropertiesSWdefectsdecreasethedegeneracysubstantiallyinsemiconducting(8，0)nanotube，andthecom

6、plexdefectschangetheelectronicstructureremarkablyThecomplexdefectsofthesystemweakenlightabsorptionandreflectionandred—shiftobservedinthelow—energy，andproducescharacteristicpeakofimpuritiesInaddition，thenitrogenatomsandva

7、cancydefectshaveasignificantimpactontheopticalproperties，whichmakesabsorption，reflectingincreaseinpeakandmovetothefar—infraredregionsWealsostudiedtheelectronicstructureandopticalpropertiesondifferentchiralmetalliccarbonn

8、anotubesofboron／nitrogenCO—dopingTheresultsshowedthattheelectronicstructureofcarbonnanotubeevolvesfrommetallictosemiconductingasaresultofboron／nitrogenCO—dopingThiscomplexdefectshavealsoanobviousinfluenceonopticalpropert

9、ies，thatisabsorptiondecreasedandred—shiftinthelow—energyafterboron／nitrogenCO—dopingInaddition，forchiralmetalliccarbonnanotubes，opticalanisotropyisextremelyobvious，absorptionpeakintensityismuchlargerthantheotherabsorptio