45 results on '"Geng, Hua-Yun"'
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2. Density functional theory prediction of thermoelectric properties of two-dimensional Janus HfXY (X≠Y, X/Y=Cl, Br, I) monolayers with high carrier mobilities
3. Electronic structure and magnetothermal properties of two-dimensional ScCl
4. The coexistence of high piezoelectricity and superior optical absorption in Janus Bi2X2Y (X = Te, Se; Y = Te, Se, S) monolayers
5. Electronic structure and magnetothermal property of two-dimensional ferromagnetic NbSe2 monolayer regulated by carrier concentration
6. Two-dimensional anisotropic monolayers NbOX2 (X = Cl, Br, I): Promising candidates for photocatalytic water splitting with high solar-to-hydrogen efficiency
7. First-principles studies on the structural, electronic and thermal transport characteristics of half-Heusler compounds LiXN (X=Mg, Zn)
8. Ultra-low lattice thermal conductivity induces high-performance thermoelectricity in Janus group-VIA binary monolayers: A comparative investigation
9. A first-principles study on the electronic, piezoelectric, and optical properties and strain-dependent carrier mobility of Janus TiXY (X ≠ Y, X/Y = Cl, Br, I) monolayers
10. Janus 2H-MXTe (M = Zr, Hf; X = S, Se) monolayers with outstanding thermoelectric properties and low lattice thermal conductivities
11. Two-dimensional Janus pentagonal MSeTe (M = Ni, Pd, Pt): promising water-splitting photocatalysts and optoelectronic materials
12. Lattice dynamics and elastic properties of α-U at high-temperature and high-pressure by machine learning potential simulations
13. Electronic and transport properties of semimetal ZrBeSi crystal: a first-principles study
14. Biaxial strain tuned electronic structure, lattice thermal conductivity and thermoelectric properties of MgI2 monolayer
15. The structural, electronic and thermal transport properties of pentagonal MS2 (M = Zn, Cd) monolayers: A first-principles study
16. Thermoelectric properties of Janus AsSBr monolayer from first-principles study
17. An ab initio study of two-dimensional anisotropic monolayers ScXY (X = S and Se; Y = Cl and Br) for photocatalytic water splitting applications with high carrier mobilities
18. The Structural, Electronic and Thermal Transport Properties of Pentagonal Ms2 (M = Zn, Cd) Monolayers: A First-Principles Study†
19. Two-dimensional AlXY (X = S, Se, and Y = Cl, Br, I) monolayers: promising photocatalysts for water splitting with high-anisotropic carrier mobilities
20. Electronic and thermoelectric properties of semiconducting Bi2SSe2 and Bi2S2Se monolayers with high optical absorption
21. Prediction of Novel Final Phases in Aged Uranium-Niobium Alloys
22. Prediction of Novel Final Phases in Aged Uranium-Niobium Alloys
23. Biaxial Tensile Strain-Induced Enhancement of Thermoelectric Efficiency of α-Phase Se2Te and SeTe2 Monolayers
24. Novel thermoelectric performance of 2D 1T- Se2Te and SeTe2 with ultralow lattice thermal conductivity but high carrier mobility
25. Thermal transport properties of semimetal scandium antimonide: a first-principles study
26. First-principles study of structural, electronic, and thermal conductivity properties of monolayer SrFBr
27. First-principles study of strain effect on elastic and optical properties and lattice thermal conductivity of Janus ZrBrCl monolayer
28. Multishock to Quasi-Isentropic Compression of Dense Gaseous Deuterium-Helium Mixtures up to 120 GPa: Probing the Sound Velocities Relevant to Planetary Interiors
29. Anisotropic Thermoelectric Materials: Pentagonal PtM2 (M = S, Se, Te)
30. Thermoelectric properties of strontium oxide under pressure: First-principles study
31. Anisotropic lattice thermal conductivity in topological semimetal ZrGeX (X = S, Se, Te): a first-principles study
32. Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study
33. Exosomal CLIC1 released by CLL promotes HUVECs angiogenesis by regulating ITGβ1‐MAPK/ERK axis
34. Thermoelectric properties of Janus MXY (M = Pd, Pt; X, Y = S, Se, Te) transition-metal dichalcogenide monolayers from first principles
35. Thermoelectric properties of strontium sulfide via first-principles calculations
36. First Principles Study of Point Defects in Uranium Dioxide
37. Electronic structure, elastic and thermal transport properties of thorium monocarbide based on first-principles study
38. Anisotropic thermoelectric properties of Weyl semimetal NbX (X = P and As): a potential thermoelectric material
39. Unusual softening behavior of yield strength in niobium at high pressures
40. Predicted novel insulating electride compound between alkali metals lithium and sodium under high pressure
41. Evidence of polymorphic transformations of Sn under high pressure
42. First-principles study on cerium ion behavior in irradiated cerium dioxide
43. First Principles Study of Point Defects in Uranium Dioxide
44. Study of Fission and High-burnup Induced Restructuring of Nuclear Fuel Ceramics - Applying Computer Science to Investigate Kinetic Process
45. First-Principles Calculation of Point Defects in Uranium Dioxide
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