Publications

You can also find my articles on my Google Scholar profile.

1. Platonic representation of foundation machine learning interatomic potentials
   arXiv preprint, 2025 [Paper]
2. Thermodynamics of Sulfur Vacancy Formation in the Chalcogenide Perovskite BaZrS3
   The Journal of Physical Chemistry C, 2025 [Paper]
3. Dual oxidation suppression in lead-free perovskites for low-threshold and long-lifespan lasing
   Advanced Materials, 2025 [Paper]
4. Has generative artificial intelligence solved inverse materials design?
   Matter, 2024 [Paper]
5. Stoichiometry-tunable synthesis and magnetic property exploration of two-dimensional chromium selenides
   ACS Nano, 2024 [Paper]
6. A hole-selective self-assembled monolayer for both efficient perovskite and organic solar cells
   Langmuir, 2024 [Paper]
7. Molecularly engineered self-assembled monolayers as effective hole-selective layers for organic solar cells
   ACS Applied Energy Materials, 2024 [Paper]
8. Structural dynamics toolkit for metal halide perovskites
   The Journal of Physical Chemistry C, 2023 [Paper]
9. From cubic to hexagonal: electronic trends across metal halide perovskite polytypes
   The Journal of Physical Chemistry C, 2023 [Paper]
10. Inhomogeneous Defect Distributions in Mixed-Polytype Metal Halide Perovskites
    ACS Energy Letters, 2023 [Paper]
11. Lone pair driven anisotropy in antimony chalcogenide semiconductors
    Physical Chemistry Chemical Physics, 2022 [Paper]
12. Secondary bonding channel design induces intercalation pseudocapacitance toward ultrahigh-capacity and high-rate organic electrodes
    Advanced Materials, 2021 [Paper]
13. Evolutionary exploration of polytypism in lead halide perovskites
    Chemical Science, 2021 [Paper]
14. Efficient potential-tuning strategy through p-type doping for designing cathodes with ultrahigh energy density
    National Science Review, 2020 [Paper]
15. Hexagonal stacking faults act as hole-blocking layers in lead halide perovskites
    ACS Energy Letters, 2020 [Paper]
16. Bayesian optimization based on a unified figure of merit for accelerated materials screening: a case study of halide perovskites
    Science China Materials, 2020 [Paper]
17. Coordination assembly of 2D ordered organic metal chalcogenides with widely tunable electronic band gaps
    Nature Communications, 2020 [Paper]
18. Confining MOF-derived SnSe Nanoplatelets in nitrogen-doped graphene cages via direct CVD for durable sodium ion storage
    Nano Research, 2019 [Paper]
19. PECVD-derived graphene nanowall/lithium composite anodes towards highly stable lithium metal batteries
    Energy Storage Materials, 2019 [Paper]
20. Plasmon-free surface-enhanced raman spectroscopy using metallic 2D materials
    ACS Nano, 2019 [Paper]
21. Large-area synthesis of superclean graphene via selective etching of amorphous carbon with carbon dioxide
    Angewandte Chemie International Edition, 2019 [Paper]
22. Copper-containing carbon feedstock for growing super-clean graphene
    Journal of the American Chemical Society, 2019 [Paper]
23. Superhydrophilic graphdiyne accelerates interfacial mass/electron transportation to boost electrocatalytic and photoelectrocatalytic water oxidation activity
    Advanced Functional Materials, 2019 [Paper]
24. Thermodynamic stability landscape of halide double perovskite via high-throughput computing and machine learning
    Advanced Functional Materials, 2019 [Paper]
25. Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics
    Energy & Environmental Science, 2019 [Paper]
26. Perspective of machine learning in material design
    Chinese Science Bulletin, 2019
27. Rationalizing perovskites data for machine learning and materials design
    The Journal of Physical Chemistry Letters, 2018 [Paper]
28. Low-temperature heteroepitaxy of 2D PbI2/Graphene for large-area flexible photodetectors
    Advanced Materials, 2018 [Paper]
29. Nanostructured Bi2S3 encapsulated within three-dimensional N-doped graphene as active and flexible anodes for sodium-ion batteries
    Nano Research, 2018 [Paper]
30. Recent progress in Pb-free stable inorganic double halide perovskites
    Journal of Semiconductors, 2018 [Paper]
31. Growth of defect-engineered graphene on manganese oxides for Li-ion storage
    Energy Storage Materials, 2018 [Paper]
32. Monitoring local strain vector in atomic-layered MoSe2 by second-harmonic generation
    Nano Letters, 2017 [Paper]
33. Anisotropic carrier mobility in two-dimensional materials with tilted Dirac cones: theory and application
    Physical Chemistry Chemical Physics, 2017 [Paper]
34. Movement of Dirac points and band gaps in graphyne under rotating strain
    Nano Research, 2017 [Paper]
35. Architecture of β-graphdiyne contained thin film using modified Glaser Hay coupling reaction for enhanced photocatalytic property of TiO2
    Advanced Materials, 2017 [Paper]
36. Chemical vapor deposition growth of linked carbon monolayers with acetylenic scaffoldings on silver foil
    Advanced Materials, 2017 [Paper]
37. Raman spectra and corresponding strain effects in graphyne and graphdiyne
    The Journal of Physical Chemistry C, 2016 [Paper]
38. Intrinsic carrier mobility of Dirac cones: the limitations of deformation potential theory
    The Journal of Chemical Physics, 2014 [Paper]