journal article·2024-04

Classical molecular dynamics simulations of CsPbBr3 perovskite quantum dots embedded sodium borosilicate glasses

Enhao Cao, Yong Yang, Babeker Hassan, Dacheng Zhou, Jianbei Qiu

Ceramics International· Volume 50· Issue 7
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OpenAlex topics: Perovskite Materials and Applications · Glass properties and applications · Luminescence Properties of Advanced Materials

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References (46)

Show source-provided references
1. All inorganic halide perovskites nanosystem: synthesis, structural features, optical properties and optoelectronic applications
2. Organic-inorganic perovskites: structural versatility for functional materials design10.1021/acs.chemrev.5b00715 ↗
3. Quantum dot light‐emitting diodes based on inorganic perovskite cesium lead halides (CsPbX3)10.1002/adma.201502567 ↗
4. Halide perovskite photovoltaics: background, status, and future prospects10.1021/acs.chemrev.8b00539 ↗
5. Recent progress in metal halide perovskite micro‐and nanolasers10.1002/adom.201900080 ↗
6. A CsPbBr3 perovskite quantum dot/graphene oxide composite for photocatalytic CO2 reduction10.1021/jacs.7b00489 ↗
7. Genesis, challenges and opportunities for colloidal lead halide perovskite nanocrystals10.1038/s41563-018-0018-4 ↗
8. Solvent-free, mechanochemical syntheses of bulk trihalide perovskites and their nanoparticles10.1039/C7CC00666G ↗
9. Highly dynamic ligand binding and light absorption coefficient of cesium lead bromide perovskite nanocrystals10.1021/acsnano.5b06295 ↗
10. Ultrastable Gd3+ doped CsPbBrI2 nanocrystals red glass for high efficiency WLEDs10.1016/j.cej.2021.128530 ↗
11. Three-dimensional direct lithography of stable perovskite nanocrystals in glass10.1126/science.abj2691 ↗
12. Reversible 3D laser printing of perovskite quantum dots inside a transparent medium10.1038/s41566-019-0538-8 ↗
13. Monte Carlo simulations of the corrosion of aluminoborosilicate glasses10.1016/j.jnoncrysol.2013.07.014 ↗
14. Structural origins of RF3/NaRF4 nanocrystal precipitation from phase-separated SiO2-Al2O3-RF3-NaF glasses: a molecular dynamics simulation study10.1021/acs.jpcb.9b01674 ↗
15. Ab initio molecular dynamics of CdSe quantum-dot-doped glasses10.1021/jacs.9b12073 ↗
16. Decoding the glass genome10.1016/j.cossms.2017.09.001 ↗
17. Accelerating the design of functional glasses through modeling10.1021/acs.chemmater.6b01054 ↗
18. Development of boron oxide potentials for computer simulations of multicomponent oxide glasses10.1111/jace.16082 ↗
19. Local structure of silicate glasses10.1038/293611a0 ↗
20. Stabilization of fluorescent [Agm]n+ quantum clusters in multiphase inorganic glass-ceramics for white LEDs10.1021/acsanm.9b00312 ↗
21. GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers10.1016/j.softx.2015.06.001 ↗
22. PACKMOL: a package for building initial configurations for molecular dynamics simulations10.1002/jcc.21224 ↗
23. A smooth particle mesh Ewald method10.1063/1.470117 ↗
24. 1.14*CM1A-LBCC: localized bond-charge corrected CM1A charges for condensed-phase simulations10.1021/acs.jpcb.7b00272 ↗
25. The ORCA program system10.1002/wcms.81 ↗
26. An improved chain of spheres for exchange algorithm10.1063/5.0058766 ↗
27. Multiwfn: a multifunctional wavefunction analyzer10.1002/jcc.22885 ↗
28. Canonical sampling through velocity rescaling10.1063/1.2408420 ↗
29. Atomistic simulation study of atomic size effects on B1 (NaCl), B2 (CsCl), and B3 (zinc-blende) crystal stability of binary ionic compounds10.1016/j.commatsci.2011.03.028 ↗
30. Improved embedded-atom model potentials of Pb at high pressure: application to investigations of plasticity and phase transition under extreme conditions
31. VMD: visual molecular dynamics10.1016/0263-7855(96)00018-5 ↗
32. Stress-induced CsPbBr3 nanocrystallization on glass surface: unexpected mechanoluminescence and applications10.1007/s12274-019-2338-3 ↗
33. Regulating the morphology and luminescence properties of CsPbBr3 perovskite quantum dots through the rigidity of glass network structure10.1039/D0TC04498A ↗
34. Heterogeneous cavitation and crystallisation with an impurity by molecular dynamics
35. High‐pressure‐induced comminution and recrystallization of CH3NH3PbBr3 nanocrystals as large thin nanoplates10.1002/adma.201705017 ↗
36. The synthesis of a perovskite CsPbBr3 quantum dot superlattice in borosilicate glass10.1039/D0CC00075B ↗
37. Residual stresses in a soda-lime-silica glass-ceramic10.1016/0022-3093(95)00509-9 ↗
38. Effects of Al: Si and (Al+Na): Si ratios on the static corrosion of sodium‐boroaluminosilicate glasses10.1111/ijag.16109 ↗
39. Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations10.1111/jace.16655 ↗
40. Temperature-induced boron coordination change in alkali borate glasses and melts10.1103/PhysRevB.67.024210 ↗
41. The structure of vitreous boron oxide10.1107/S0021889870006143 ↗
42. First-principles study of a sodium borosilicate glass-former. I. The liquid state
43. A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses10.1016/j.jnoncrysol.2020.120413 ↗
44. Development of empirical potentials for sodium borosilicate glass systems10.1016/j.jnoncrysol.2011.05.024 ↗
45. SiO2-Na2O-B2O3 density: a comparison of experiments, simulations, and theory10.1016/j.jnoncrysol.2013.09.022 ↗
46. Topological engineering of glass for modulating chemical state of dopants10.1002/adma.201403256 ↗