Xiaoyu Xie

University of Liverpool

United Kingdom

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Articles (10)

Year:

2024

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2024

Year:

2024

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2024

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2024

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2023

Year:

2023

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2023

Year:

2022

Year:

2022

Collaborators (3)

Linjiang Chen

University of Birmingham

UNITED KINGDOM

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Daniele Padula

Associate Professor

University of Siena

ITALY

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Alessandro Troisi

Professor at Department of Chemistry

University of Liverpool

UNITED KINGDOM

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Xiaoyu Xie

Research Interests

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Contact this professor

Articles (10)

Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents

Efficient Simulation of Inhomogeneously Correlated Systems Using Block Interaction Product States

Theoretical investigation of distal charge separation in a perylenediimide trimer

Simultaneous Intra- and Intermolecular Singlet Fission in Bipentacene Macrocycle Aggregates

Calibration of several first excited state properties for organic molecules through systematic comparison of TDDFT with experimental spectra

Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening

Vitality of Intralayer Vibration in hBN for Effective Long-Range Interlayer Hole Transfer across High Barriers in MoSe2/hBN/WSe2 Heterostructures

Identification via Virtual Screening of Emissive Molecules with a Small Exciton–Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization

Evaluating the Electronic Structure of Coexisting Excitonic and Multiexcitonic States in Periodic Systems: Significance for Singlet Fission

Rapid calculation of internal conversion and intersystem crossing rate for organic materials discovery

Collaborators (3)

Linjiang Chen

Daniele Padula

Alessandro Troisi

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