Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localize...Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localized orbital locators(LOL),and infrared(IR)spectrum were also performed at the same level.Based on TD-DFT M062X/6-311G(d,p)method,the first 20 excited states and ultraviolet(UV)spectra of p-C_(6)H_(4)-C_(20) were calculated.Calculation results of π-electron delocalization analyses prove thatπ-electron delocalization of p-C_(6)H_(4)-C_(20) is more likely to occur on shorter C-C bonds rather than longer C-C bonds,and inside/outside of the ring plane rather than above/below the ring plane.Two absorption peaks of p-C_(6)H_(4)-C_(20) locate at about 319 nm and 236 nm,respectively.展开更多
We report on the performance improvement of long-wave infrared quantum cascade lasers(LWIR QCLs)by studying and optimizing the anti-reflection(AR)optical facet coating.Compared to the Al2O3 AR coat⁃ing,the Y_(2)O_(3)A...We report on the performance improvement of long-wave infrared quantum cascade lasers(LWIR QCLs)by studying and optimizing the anti-reflection(AR)optical facet coating.Compared to the Al2O3 AR coat⁃ing,the Y_(2)O_(3)AR coating exhibits higher catastrophic optical mirror damage(COMD)level,and the optical facet coatings of both material systems have no beam steering effect.A 3-mm-long,9.5-μm-wide buried-heterostruc⁃ture(BH)LWIR QCL ofλ~8.5μm with Y_(2)O_(3)metallic high-reflection(HR)and AR of~0.2%reflectivity coating demonstrates a maximum pulsed peak power of 2.19 W at 298 K,which is 149%higher than that of the uncoated device.For continuous-wave(CW)operation,by optimizing the reflectivity of the Y_(2)O_(3)AR coating,the maximum output power reaches 0.73 W,which is 91%higher than that of the uncoated device.展开更多
文摘Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localized orbital locators(LOL),and infrared(IR)spectrum were also performed at the same level.Based on TD-DFT M062X/6-311G(d,p)method,the first 20 excited states and ultraviolet(UV)spectra of p-C_(6)H_(4)-C_(20) were calculated.Calculation results of π-electron delocalization analyses prove thatπ-electron delocalization of p-C_(6)H_(4)-C_(20) is more likely to occur on shorter C-C bonds rather than longer C-C bonds,and inside/outside of the ring plane rather than above/below the ring plane.Two absorption peaks of p-C_(6)H_(4)-C_(20) locate at about 319 nm and 236 nm,respectively.
基金Supported by the National Natural Science Foundation of China(12393830)。
文摘We report on the performance improvement of long-wave infrared quantum cascade lasers(LWIR QCLs)by studying and optimizing the anti-reflection(AR)optical facet coating.Compared to the Al2O3 AR coat⁃ing,the Y_(2)O_(3)AR coating exhibits higher catastrophic optical mirror damage(COMD)level,and the optical facet coatings of both material systems have no beam steering effect.A 3-mm-long,9.5-μm-wide buried-heterostruc⁃ture(BH)LWIR QCL ofλ~8.5μm with Y_(2)O_(3)metallic high-reflection(HR)and AR of~0.2%reflectivity coating demonstrates a maximum pulsed peak power of 2.19 W at 298 K,which is 149%higher than that of the uncoated device.For continuous-wave(CW)operation,by optimizing the reflectivity of the Y_(2)O_(3)AR coating,the maximum output power reaches 0.73 W,which is 91%higher than that of the uncoated device.
