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Potential development for theoretical spectroscopy

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Our aim is to provide a set of well-tested and accurate Core Hole Induced Pseudopotentials (CHIP) for theoretical spectroscopy.

Module development for theoretical spectroscopy

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Our aim is to present the spectroscopy framework with an efficient and user-friendly web-based facility.

Understanding the enhancement of ionic transport in SOFC

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J. Phys. Chem. C 122, 22374 (2018)

Phys. Chem. Chem. Phys. 20, 10048 (2018)

Design, functionalization and application of two-dimensional (2D) nanomaterials

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Phys. Rev. B 98, 241408(R) (2018)

ACS Omega 3, 1815 (2018)

Complexation of supramolecules:

cyclodextrine

J. Mater. Sci. 53, 15837 (2018)

J. Mater. Sci. 53, 5436 (2018)

J. Food Eng. 224, 27 (2018)

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