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2020 Journal Article Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodesTai, Wun-Shan, Hsu, Ling-Yang, Hung, Wen-Yi, Chen, Yi-Yang, Ko, Chang-Lun, Zhou, Xiuwen, Yuan, Yi, Jen, Alex K.-Y. and Chi, Yun (2020). Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes. Journal of Materials Chemistry C, 8 (39), 13590-13602. doi: 10.1039/d0tc03453c |
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2019 Journal Article Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emittersHsu, Ling-Yang, Liang, Qiumin, Wang, Zhiheng, Kuo, Hsin-Hung, Tai, Wun-Shan, Su, Shi-Jian, Zhou, Xiuwen, Yuan, Yi and Chi, Yun (2019). Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters. Chemistry - A European Journal, 25 (67) chem.201903707, 15375-15386. doi: 10.1002/chem.201903707 |
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2019 Journal Article Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphorsGnanasekaran, Premkumar, Yuan, Yi, Lee, Chun-Sing, Zhou, Xiuwen, Jen, Alex K.-Y. and Chi, Yun (2019). Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors. Inorganic Chemistry, 58 (16) acs.inorgchem.9b01383, 10944-10954. doi: 10.1021/acs.inorgchem.9b01383 |
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2018 Journal Article Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexesZhou, Xiuwen and Powell, Benjamin J. (2018). Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes. Inorganic Chemistry, 57 (15) acs.inorgchem.8b00800, 8881-8889. doi: 10.1021/acs.inorgchem.8b00800 |
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2017 Journal Article Correction to bond fission and non-radiative decay in iridium(III) complexesZhou, Xiuwen, Burn, Paul L and Powell, Benjamin J (2017). Correction to bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 56 (13), 7574-7574. doi: 10.1021/acs.inorgchem.7b01260 |
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2017 Journal Article Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexesZhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2017). Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes. Journal of Chemical Physics, 146 (17) 174305, 174305-1-174305-6. doi: 10.1063/1.4981797 |
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2017 Journal Article Aggregates of diketopyrrolopyrrole dimers in solutionWawrzinek, Robert, Zhou, Xiuwen, Ullah, Mujeeb, Namdas, Ebinazar B. and Lo, Shih-Chun (2017). Aggregates of diketopyrrolopyrrole dimers in solution. Dyes and Pigments, 136, 678-685. doi: 10.1016/j.dyepig.2016.08.064 |
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2016 Journal Article Bond fission and non-radiative decay in iridium(III) complexesZhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2016). Bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 55 (11), 5266-5273. doi: 10.1021/acs.inorgchem.6b00219 |
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2015 Journal Article Frozen-density embedding strategy for multilevel simulations of electronic structureWesolowski, Tomasz A., Shedge, Sapana and Zhou, Xiuwen (2015). Frozen-density embedding strategy for multilevel simulations of electronic structure. Chemical Reviews, 115 (12), 5891-5928. doi: 10.1021/cr500502v |
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2014 Journal Article Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153Shedge, Sapana V., Zhou, Xiuwen and Wesolowski, Tomasz A. (2014). Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153. Chimia, 68 (9), 609-614. doi: 10.2533/chimia.2014.609 |
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2014 Journal Article Spectral tuning of rhodopsin and visual cone pigmentsZhou, Xiuwen, Sundholm, Dage, Wesolowski, Tomasz A. and Kaila, Ville R. I. (2014). Spectral tuning of rhodopsin and visual cone pigments. Journal of the American Chemical Society, 136 (7), 2723-2726. doi: 10.1021/ja411864m |
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2014 Journal Article How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?Humbert-Droz, Marie, Zhou, Xiuwen, Shedge, Sapana V. and Wesolowski, Tomasz A. (2014). How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 133 (1) 1405, 1-20. doi: 10.1007/s00214-013-1405-1 |
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2013 Journal Article First-principles simulation of the absorption bands of fluorenone in zeolite LZhou, Xiuwen, Wesolowski, Tomasz A., Tabacchi, Gloria, Fois, Ettore, Calzaferri, Gion and Devaux, Andre (2013). First-principles simulation of the absorption bands of fluorenone in zeolite L. Physical Chemistry Chemical Physics, 15 (1), 159-167. doi: 10.1039/c2cp42750h |
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2011 Journal Article Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 caseZhou, Xiuwen, Kaminski, Jakub W. and Wesolowski, Tomasz A. (2011). Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case. Physical Chemistry Chemical Physics, 13 (22), 10565-10576. doi: 10.1039/c0cp02874f |
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2011 Journal Article Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancyCheng, Fang, Liu, Ting-Yu, Zhang, Qi-Ren, Qiao, Hai-Ling and Zhou, Xiu-Wen (2011). Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy. Chinese Physics Letters, 28 (3) 036106, 036106. doi: 10.1088/0256-307X/28/3/036106 |
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2010 Journal Article First-principles study of LiBaF3 crystals containing interstitial fluorideQiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fang and Zhou, Xiuwen (2010). First-principles study of LiBaF3 crystals containing interstitial fluoride. Current Applied Physics, 10 (5), 1286-1289. doi: 10.1016/j.cap.2010.02.057 |
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2010 Journal Article First principle studies on the electronic structures and absorption spectra in KMgF3 crystal with fluorine vacancyCheng, Fang, Liu, Tingyu, Zhang, Qiren, Qiao, Hailin and Zhou, Xiuwen (2010). First principle studies on the electronic structures and absorption spectra in KMgF3 crystal with fluorine vacancy. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms, 268 (15), 2403-2407. doi: 10.1016/j.nimb.2010.03.008 |
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2010 Journal Article First-principle with regard to electronic structures and optical properties of perfect KMgF 3 single crystalCheng, Fang, Liu, Ting-Yu, Zhang, Qi-Ren, Qiao, Hai-Lin and Zhou, Xiu-Wen (2010) First-principle with regard to electronic structures and optical properties of perfect KMgF 3 single crystal. Shanghai Ligong Daxue Xuebao/Journal of University of Shanghai for Science and Technology, 32 3: 263-267. |
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2010 Journal Article Study on the electronic structures and the optical properties of the Mg-doped LiBaF3 crystalQiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fang and Zhou, Xiuwen (2010). Study on the electronic structures and the optical properties of the Mg-doped LiBaF3 crystal. Physica B: Condensed Matter, 405 (7), 1759-1762. doi: 10.1016/j.physb.2010.01.035 |
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2010 Journal Article First-principles study on the F-type color centers in LiBaF3 crystalsQiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fang and Zhou, Xiuwen (2010). First-principles study on the F-type color centers in LiBaF3 crystals. Physica B: Condensed Matter, 405 (3), 932-935. doi: 10.1016/j.physb.2009.10.018 |
