Publications by authors named "Xugeng Guo"

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Boosting the Efficiency of Dye-Sensitized Solar Cells by a Multifunctional Composite Photoanode to 14.13 .
Siqi Zhang, Fuhua Huang, Xugeng Guo, Ye Xiong, Yafei Huang

Angew Chem Int Ed Engl· June 2023

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Liquid Nitrogen Sources Assisting Gram-Scale Production of Single-Atom Catalysts for Electrochemical Carbon Dioxide Reduction.
Beibei An, Jingsheng Zhou, Liangjing Duan, Xiao Liu, Guanyao Yu, Xugeng Guo

Adv Sci (Weinh)· April 2023

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An effective strategy for simply varying relative position of two carbazole groups in the thermally activated delayed fluorescence emitters to achieve deep-blue emission.
Songyan Feng, Xugeng Guo, Jinglai Zhang

Spectrochim Acta A Mol Biomol Spectrosc· February 2020

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Strategy for tuning the up-conversion intersystem crossing rates in a series of organic light-emitting diodes emitters relevant for thermally activated delayed fluorescence.
Qiuling Zhu, Songyan Feng, Xugeng Guo, Xing Chen, Jinglai Zhang

Spectrochim Acta A Mol Biomol Spectrosc· October 2019

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Theoretical study on photophysical properties of a series of functional pyrimidine-based organic light-emitting diodes emitters presenting thermally activated delayed fluorescence.
Qiuling Zhu, Xugeng Guo, Jinglai Zhang

J Comput Chem· June 2019

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Theoretical studies on thermally activated delayed fluorescence mechanism of a series of organic light-emitting diodes emitters comprising 2,7-diphenylamino-9,9-dimethylacridine as electron donor.
Songyan Feng, Keke Wen, Yubing Si, Xugeng Guo, Jinglai Zhang

J Comput Chem· December 2018

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Theoretical studies on electroluminescent mechanism of a series of thermally activated delayed fluorescence emitters possessing asymmetric-triazine-cored triads.
Jinglai Zhang, Huijuan Yuan, Songyan Feng, Keke Wen, Xugeng Guo

Spectrochim Acta A Mol Biomol Spectrosc· September 2018

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Theoretical insights into the 1D-charge transport properties in a series of hexaazatrinaphthylene-based discotic molecules.
Beibei An, Keke Wen, Songyan Feng, Xiao Pan, Wenpeng Wu, Xugeng Guo

J Comput Chem· May 2018

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Benzimidazobenzothiazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes: A quantum-chemical TD-DFT study.
Qiuling Zhu, Keke Wen, Songyan Feng, Xugeng Guo, Jinglai Zhang

Spectrochim Acta A Mol Biomol Spectrosc· March 2018

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The excited-state intramolecular proton transfer in NH-type dye molecules with a seven-membered-ring intramolecular hydrogen bond: A theoretical insight.
Huijuan Yuan, Songyan Feng, Keke Wen, Xugeng Guo, Jinglai Zhang

Spectrochim Acta A Mol Biomol Spectrosc· February 2018

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Tunable excited-state intramolecular proton transfer reactions with NH or OH as a proton donor: A theoretical investigation.
Yuanyuan Li, Keke Wen, Songyan Feng, Huijuan Yuan, Beibei An, Xugeng Guo

Spectrochim Acta A Mol Biomol Spectrosc· December 2017

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A quantum-chemical insight into the tunable fluorescence color and distinct photoisomerization mechanisms between a novel ESIPT fluorophore and its protonated form.
Huijuan Yuan, Songyan Feng, Keke Wen, Qiuling Zhu, Beibei An, Xugeng Guo

Spectrochim Acta A Mol Biomol Spectrosc· August 2017

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Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.
Yanzhen Gan, Ling Yue, Xugeng Guo, Chaoyuan Zhu, Zexing Cao

Phys Chem Chem Phys· May 2017

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Theoretical insight into the excited-state intramolecular proton transfer mechanisms of three amino-type hydrogen-bonding molecules.
Beibei An, Huijuan Yuan, Qiuling Zhu, Yuanyuan Li, Xugeng Guo

Spectrochim Acta A Mol Biomol Spectrosc· March 2017

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Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.
Xugeng Guo, Huijuan Yuan, Beibei An, Qiuling Zhu, Jinglai Zhang

J Chem Phys· April 2016

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A CASSCF/CASPT2 insight into excited-state intramolecular proton transfer of four imidazole derivatives.
Yuanyuan Li, Li Wang, Xugeng Guo, Jinglai Zhang

J Comput Chem· December 2015

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Ab initio study on ultrafast excited-state decay of allopurinol keto-N9H tautomer from gas phase to aqueous solution.
Xugeng Guo, Yuan Zhao, Zexing Cao

J Phys Chem A· October 2014

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A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution.
Xugeng Guo, Yuan Zhao, Zexing Cao

Phys Chem Chem Phys· August 2014

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Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers.
Xugeng Guo, Zhenggang Lan, Zexing Cao

Phys Chem Chem Phys· July 2013

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Low-lying electronic states and their nonradiative deactivation of thieno[3,4-b]pyrazine: an ab initio study.
Xugeng Guo, Zexing Cao

J Chem Phys· December 2012

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Ab initio characterization of size dependence of electronic spectra for linear anionic carbon clusters C(n) (-) (n = 4-17).
Xu-Geng Guo, Jing-Lai Zhang, Yuan Zhao

J Comput Chem· January 2012

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Electronic spectra of H(2)C(2n)H+ radicals (n=2-6): an ab initio study.
Lihui Jiang, Chunzhang Wang, Junfeng Li, Xugeng Guo, Jinglai Zhang

Spectrochim Acta A Mol Biomol Spectrosc· December 2009

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Electronic spectra of the linear polyyne cations HC(2n)H(+) (n=2-8): An ab initio study.
Jinglai Zhang, Xugeng Guo, Zexing Cao

J Chem Phys· October 2009

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