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Elastic stability criteria of seven crystal systems and their application under pressure: Taking carbon as an example

Journal of applied physics, 2023-04, Vol.133 (13)

2023

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Composition‐Dependent Enzyme Mimicking Activity and Radiosensitizing Effect of Bimetallic Clusters to Modulate Tumor Hypoxia for Enhanced Cancer Therapy

Advanced materials (Weinheim), 2022-08, Vol.34 (31), p.e2203734-n/a

2022

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Atomically Precise Gold–Levonorgestrel Nanocluster as a Radiosensitizer for Enhanced Cancer Therapy

ACS nano, 2019-07, Vol.13 (7), p.8320-8328

2019

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Probing into the theory of impact sensitivity: propelling the understanding of phonon-vibron coupling coefficients

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (9), p.7695-775

2024

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Atomic mean square displacement study of the bond breaking mechanism of energetic materials before explosive initiation

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (7), p.5613-5618

2023

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Triggering the mechanism of the initial reaction of energetic materials under pressure based on Raman intensity analysis

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (7), p.5685-5693

2023

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Harnessing Excited-State Intramolecular Proton-Transfer Reaction via a Series of Amino-Type Hydrogen-Bonding Molecules

The journal of physical chemistry letters, 2015-04, Vol.6 (8), p.1477-1486

2015

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Theoretical study on isostructural pressure-induced phase transition of solid ethane at extremely low temperature

Applied physics letters, 2024-03, Vol.124 (10)

2024

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Composition and structural characteristics of compressed alkaline earth metal hydrides

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (38), p.26225-26235

2023

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Explanation for the conductivity difference of half-Heusler transparent conductors via ionization energy

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9285-9293

2021

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Initial Decomposition Mechanism of H2O2 at High Temperature and Pressure

physica status solidi (b), 2024-02, Vol.261 (2), p.n/a

2024

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First‐Principles Studies of Structural, Mechanical, Electronic, and Optical Properties of CsCuO

physica status solidi (b), 2024-07

2024

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Geometrical, Electronic, and Optical Properties of Rhombohedral B6O from First‐Principles Calculation

physica status solidi (b), 2024-09, Vol.261 (9), p.n/a

2024

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First‐principles study of the atomic structures, electronic properties, and surface stability of BaTiO3 (001) and (011) surfaces

Surface and interface analysis, 2019-10, Vol.51 (10), p.1021-1032

2019

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Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of N , N ′-dinitroethylenediamine (EDNA)

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (40), p.27488-27497

2023

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Phase Transitions, Mechanical and Dynamic Stability, and Electronic Properties of SnO Polymorphs under High Pressure

physica status solidi (b), 2023-06, Vol.260 (6), p.n/a

2023

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A multifunctional AIE gold cluster-based theranostic system: tumor-targeted imaging and Fenton reaction-assisted enhanced radiotherapy

Journal of nanobiotechnology, 2021-12, Vol.19 (1), p.438-438, Article 438

2021

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Prediction of chemical bond breaking in insensitive high-energy energetic materials at high temperature and pressure

Journal of applied physics, 2023-05, Vol.133 (18)

2023

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A simulation study on the phase transition behavior of solid nitrogen under extreme conditions

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11653-11657

2023

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Molecular dynamics simulation of sensitivity of HMX, FOX-7, and TATB crystals

Journal of molecular modeling, 2024-05, Vol.30 (5), p.150-150, Article 150

2024

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Analysis of the initial reaction mechanism of TKX-50 based on Raman intensity

Journal of molecular modeling, 2023-09, Vol.29 (9), p.278-278, Article 278

2023

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Structural, Electronic, and Vibrational Properties of N2O4 under Pressure from First‐Principles Study

physica status solidi (b), 2023-01, Vol.260 (1), p.n/a

2023

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Geometrical, electronic and optical properties of seven types ZnO from first-principles calculation

Optical and quantum electronics, 2023-12, Vol.55 (13), Article 1177

2023

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Electrons and phonons of the discharge products in the lithium-oxygen and lithium-sulfur batteries from first-principles calculations

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (8), p.6362-6368

2023

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First‐Principles Study of Structural, Electronic, and Elastic Properties of Sb2S3 under Pressure

physica status solidi (b), 2022-03, Vol.259 (3), p.n/a

2022

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Elastic stability criteria of seven crystal systems and their application under pressure: Taking carbon as an example

Composition‐Dependent Enzyme Mimicking Activity and Radiosensitizing Effect of Bimetallic Clusters to Modulate Tumor Hypoxia for Enhanced Cancer Therapy

Atomically Precise Gold–Levonorgestrel Nanocluster as a Radiosensitizer for Enhanced Cancer Therapy

Probing into the theory of impact sensitivity: propelling the understanding of phonon-vibron coupling coefficients

Atomic mean square displacement study of the bond breaking mechanism of energetic materials before explosive initiation

Triggering the mechanism of the initial reaction of energetic materials under pressure based on Raman intensity analysis

Harnessing Excited-State Intramolecular Proton-Transfer Reaction via a Series of Amino-Type Hydrogen-Bonding Molecules

Theoretical study on isostructural pressure-induced phase transition of solid ethane at extremely low temperature

Composition and structural characteristics of compressed alkaline earth metal hydrides

Explanation for the conductivity difference of half-Heusler transparent conductors via ionization energy

Initial Decomposition Mechanism of H2O2 at High Temperature and Pressure

First‐Principles Studies of Structural, Mechanical, Electronic, and Optical Properties of CsCuO

Geometrical, Electronic, and Optical Properties of Rhombohedral B6O from First‐Principles Calculation

First‐principles study of the atomic structures, electronic properties, and surface stability of BaTiO3 (001) and (011) surfaces

Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of N , N ′-dinitroethylenediamine (EDNA)

Phase Transitions, Mechanical and Dynamic Stability, and Electronic Properties of SnO Polymorphs under High Pressure

A multifunctional AIE gold cluster-based theranostic system: tumor-targeted imaging and Fenton reaction-assisted enhanced radiotherapy

Prediction of chemical bond breaking in insensitive high-energy energetic materials at high temperature and pressure

A simulation study on the phase transition behavior of solid nitrogen under extreme conditions

Molecular dynamics simulation of sensitivity of HMX, FOX-7, and TATB crystals

Analysis of the initial reaction mechanism of TKX-50 based on Raman intensity

Structural, Electronic, and Vibrational Properties of N2O4 under Pressure from First‐Principles Study

Geometrical, electronic and optical properties of seven types ZnO from first-principles calculation

Electrons and phonons of the discharge products in the lithium-oxygen and lithium-sulfur batteries from first-principles calculations

First‐Principles Study of Structural, Electronic, and Elastic Properties of Sb2S3 under Pressure

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