330 results on '"Liu, Zi-Jiang"'
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2. Stability and wave velocity of novel iron magnesium oxide (Mg, Fe)2O3.5 in the lower mantle
3. Construction and application of deep learning potential for CaO under high pressure
4. Investigation of phase stability and martensitic transformation of all-d-metal Heusler alloys Fe2VIr and Fe2TaIr in high pressure: A first-principles study
5. Phase diagram and physical properties anisotropy of strontianite
6. Study on the structure, elasticity, and thermal conductivity of orthocarbonate Sr2CO4
7. First-principles study on the high-pressure physical properties of orthocarbonate Ca2CO4
8. High-performance phononic crystal sensing structure for acetone solution concentration sensing
9. First-principles study of structural phase transition and electronic properties of CaO3 under high pressure
10. Machine learning study of D:A1:A2 ternary organic solar cells
11. Enhanced superconducting transition temperature via alloying In, Sn and Sb in PbH4 by using first-principles calculations
12. Vibration attenuation performance of isolator based on locally resonant phononic crystal via train load
13. First-principles study of the structural phase transition and optical properties for MoS2 at high pressure
14. Prediction of the melting curve and phase diagram for CaO using newly developed interatomic potentials
15. Structural stabilities and half-metallicity properties of the OsTiVIn and OsZrVIn quaternary Heusler alloys under high pressure
16. Machine learning study on organic solar cells and virtual screening of designed non-fullerene acceptors.
17. Ordered structure and mechanical properties of ternary Sc0.5TM0.5B2 (TM = Ti, V, Zr) alloys under high pressure
18. Comparative study on high-pressure physical properties of monoclinic MgCO3 and Mg2CO4
19. First-principles calculations of high-pressure physical properties anisotropy for magnesite
20. Exploring the Coexistence Conditions and Intrinsic Relationships between Electrides, Superconductivity, Kagome Lattice, and Superionic Behaviors in Li–Ge Compounds.
21. Molecular Design and High‐Throughput Virtual Screening of Electron Donor and Non‐fullerene Acceptors for Organic Solar Cells.
22. Structural transition, mechanical properties and electronic structure of the ZnO under high pressure via first-principles investigations
23. Age and geochemistry of the granitoid from the Lunte area, Northeastern Zambia: Implications for magmatism of the Columbia supercontinent
24. Optoelectronic properties of Rb-doped inorganic double perovskite Cs2AgBiBr6
25. A comparative study of PffBT4T-2OD/EH-IDTBR and PffBT4T-2OD/PC71BM organic photovoltaic heterojunctions
26. Prediction of the pressure-induced phase transition, mechanical properties, and electronic structures for ScB4 via first principle calculations
27. Development of the new interatomic potentials for the wurtzite phase of ZnO
28. Valley transport via dual-band elastic topological edge states in local-resonant phononic crystal plate.
29. Optoelectronic properties of diathiafulvalene-functionalized diketopyrrolopyrrole–fullerene molecular dyad
30. Sub-wavelength topological boundary states and rainbow trapping of local-resonance phononic crystal plate.
31. Machine Learning Study on the Virtual Screening of Donor–Acceptor Pairs for Organic Solar Cells.
32. Effect of Sc, V, Zr, and Hf doping on the mechanical properties of TiB3 under high pressure
33. Phase diagram and physical properties of pyrocarbonate CaC2O5: First-principles calculations
34. Study of high-pressure thermophysical properties of orthocarbonate Sr3CO5 using deep learning molecular dynamics simulations
35. Study on the Structure, Elasticity, and Thermal Conductivity of Orthocarbonate Sr2co4
36. Novel superhard semiconducting structures of C8B2N2 predicted using the first-principles approach
37. Selective enhancement of difference sideband generation in a quadratically coupled optomechanical system with mechanical driving
38. Theoretical Study on Functionalizing A–D–A Type Non‐Fullerene Acceptor by Fused Rings and Side Chains for Organic Solar Cells
39. First-principles study of structural phase transition and electronic properties of CaO3 under high pressure
40. Tunable characteristics of low-frequency bandgaps in two-dimensional multivibrator phononic crystal plates under prestrain
41. The low-frequency bandgap characteristics of a new three-dimensional multihole phononic crystal
42. Density functional theory study on the electronic structures and related properties of Ag-doped CH3NH3PbI3 perovskite
43. First-principles study of the martensitic transformation in pressure of the all-d-metal Heusler alloy Fe2NbIr
44. Theoretical study on the effect of end groups and core ring numbers in non-fullerene acceptors for organic solar cells
45. The bis-dimethylfluoreneaniline organic dye sensitizers for solar cells: A theoretical study and design
46. The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad
47. Theoretical Study on Functionalizing A–D–A Type Non‐Fullerene Acceptor by Fused Rings and Side Chains for Organic Solar Cells.
48. Study of high-pressure thermophysical properties of orthocarbonate Sr3CO5 using deep learning molecular dynamics simulations.
49. High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations
50. The electronic structures and optical properties of fullerene derivatives for organic solar cells: The number and size effects of fullerene-cage
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