All Stories

  1. First-principles investigation of synergistic rattling and delocalization effects on ultralow lattice thermal conductivity and thermoelectric performance in Zintl phase RbSnSb
  2. Coordinated regulation of ultralow thermal conductivity by strong quartic anharmonic and wave-like phonon transmission
  3. Anomalous and ultralow axial thermal conductivity in layered XAgO
  4. Revisiting thermoelectric transport in 122 Zintl phases: Anharmonic phonon renormalization and phonon localization effects
  5. Unconventional lattice thermal transport and high thermoelectric performance in eight alkali-metal half-Heusler compounds ...
  6. Microscopic mechanism of low lattice thermal conductivity induced by strong anharmonic vibrations in thermoelectric zintl compounds KXAs (
  7. Recent Progress in Multiscale Synergistic Optimization of Thermoelectric Materials: From Structural Regulation to Mechanistic Innovation
  8. Unveiling Exceptional Thermoelectric Performance in Non-Layered X2S2 (X = K, Rb) via Coexistence of the Flat Band and High Dispersion: Ultralow Lattice Thermal Conductivity and High Anisotropic ZT Values
  9. Rattling-driven low thermal conductivity in CsCaX (
  10. Directional dependence of thermoelectric properties in Na2AgAs: Contributions of in-plane rattling and multiple energy valleys
  11. Unveiling Coherent Lattice Thermal Conductivity in Strongly Quartically Anharmonic Halide Perovskites
  12. Unveiling the thermoelectric potential of KBaBi: a dive into high-temperature stability and thermoelectric performance
  13. Strong influence of fully quartic anharmonicity on thermoelectric properties of Li3X (X= Sb, Bi) compounds: A first principle study
  14. Rattling-induced effects of Ag atoms and anomalous phonon transport along with thermoelectric performance in silver-based chalcopyrite AgGaX2 (X = Se, Te)
  15. Prediction of Thermoelectric Properties of PtSnX (X = Ti, Zr) Based on First-Principles Calculations
  16. Unveiling Exceptional Thermoelectric Performance in Non-Layered X₂S₂ (X = K, Rb) via coexistence of flat band and high dispersion: Ultralow Lattice Thermal Conductivity and High Anisotropic ZT Values
  17. Two-Fold Enhancement of Curie Temperature in Monolayer CrI3 by High Pressure
  18. Ultralow lattice thermal conductivity of Li2AgSb due to strong quartic anharmonicity
  19. Typical thermoelectric materials: Progress and prospects
  20. Anomalous phonon transport and thermoelectric properties in honeycomb compounds ACuTe (A = Na, K, Rb)
  21. Unveiling the microscopic origins and thermoelectric performance of full-Heusler compounds K2RbSb and Rb2KSb
  22. Ferromagnetic two-dimensional Fe3GaTe2 and Ni-doped Fe3GaTe2 as electrocatalysts for lithium–sulfur batteries: a first-principles study
  23. Thermoelectric Performance of Li-Based Heusler Compounds: A Multiscale Computational Review
  24. Excellent thermoelectric properties and significant anisotropy for filled-tetragonal NaZnAs caused by strong anharmonicity
  25. The influence of lattice anharmonicity on the thermal transport properties of two-dimensional MgF2
  26. First‐Principles Study of the Effects of High‐Order Anharmonicity on the Thermal Transport Properties and Thermoelectric Effects in the Lattice Dynamics of 12 New Full–Heusler Compounds X2YTe (X = Na, K, Rb, Cs; Y = Zn, Cd, Hg)
  27. Influence of anharmonicity on the thermoelectric properties of alkali antimonide compounds M3Sb<...
  28. Comparison of ultra-low lattice thermal conductivity of the full-Heusler compound Li2Rb(Cs)Bi after considering strong quartic anharmonicity
  29. Comparison of the excellent thermoelectric properties of the half-Heusler compounds RbMgSb with a host-guest structure and LiMgSb
  30. Low lattice thermal conductivity of CsMgBi with layered structure
  31. Efficient passively Q-switched Nd: KGW/Cr4+:YAG self-Raman laser
  32. Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures
  33. Effects of Rattling Behavior of K and Cd Atoms along Different Directions in Anisotropic KCdAs on Lattice Thermal Transport and Thermoelectric Properties
  34. Research Progress on Transport Mechanisms of Materials with Intrinsically High Thermoelectric Performance
  35. Effects of rattling behavior of K and Cd atoms along different directions in anisotropic KCdAs on lattice thermal transport and thermoelectric properties
  36. Effects of Pd atom vibration in the Sr–Te octahedral interstitial space in Zintl compound SrPdTe on lattice anharmonicity and thermoelectric properties
  37. Comparison of the Excellent Thermoelectric Properties of the Half-Heusler Compounds Rbmgsb with a Host-Guest Structure and Limgsb
  38. Excellent Thermoelectric Properties and Significant Anisotropy for Filled-Tetragonal Naznas Caused by Strong Anharmonicity
  39. Study on lattice dynamics and thermal conductivity of fluorite AF2 (A = Ca, Sr, Ba) based on first principles calculations
  40. Two-dimensional phosphorus carbides (β-PC) as highly efficient metal-free electrocatalysts for lithium–sulfur batteries: a first-principles study
  41. Typical Thermoelectric Materials: Progress and Prospects
  42. Ab initio investigations on lattice dynamics and thermal transport properties of ThO2
  43. The filled tetrahedral compound NaZnP with strong quartic anharmonicity and good thermoelectric properties
  44. Investigation on transport properties and anomalously heat-carrying optical phonons in KXY (X = Ca, Mg; Y = Sb, Bi)
  45. Study on the thermoelectric characteristics of the ternary alkali metal compound XMgSb (X = K, Rb, Cs)
  46. The influence of strong anharmonicity on high thermoelectric properties for the ternary compound NaMgX (X = As, Sb)
  47. Multifunctional catalytic activity of Cu3N (001) surface: A first-principles study
  48. Thermoelectric performance of Zintl compound KMgBi with layered structure
  49. Niobium and Fluorine Dually Doped Titanium Oxide Nanosheet Arrays for Selective Dual-Band Electrochromic Applications
  50. Phonon hardening and the effect of phonon transport in cubic antiperovskites A
  51. Transport and thermoelectric properties of strongly anharmonic Full-Heusler compounds CsK2M (M=As, Bi)
  52. Thermoelectric transport properties of metal phosphide XLiP (X = Sr,Ba)
  53. Strong quartic anharmonicity, ultralow thermal conductivity, high band degeneracy and good thermoelectric performance in Na2TlSb
  54. Strong anharmonic phonon scattering and superior thermoelectric properties of Li2NaBi
  55. Microscopic mechanism of low lattice thermal conductivity in natural superlattice materials BaXYF
  56. Thermoelectric transport properties of orthorhombic RbBaX (X = Sb, Bi) with strong anharmonicity
  57. Correlation of rattlers with thermal transport and thermoelectric performance
  58. High thermoelectric performance in XAgSe2 (X = Sc, Y) from strong quartic anharmonicity and multi-valley band structure
  59. Strong anharmonicity and high thermoelectric performance of cubic thallium-based fluoride perovskites TlXF3 (X = Hg, Sn, Pb)
  60. The Filled Tetrahedral Compound Naznp with Strong Quartic Anharmonicity and Good Thermoelectric Properties
  61. The Filled Tetrahedral Compound Naznp with Strong Quartic Anharmonicity and Good Thermoelectric Properties
  62. Extremely strong four-phonon scattering and ultra-low lattice thermal conductivity due to quartic anharmonicity in fluoride perovskites XHgF3 (X = K, Rb)
  63. Room temperature skyrmions in symmetric multilayers
  64. Thermal transport properties of anisotropic materials RbCaX (X = As, Sb) with strong anharmonicity
  65. The ultra-low lattice thermal conductivity dominated by the quartic anharmonicity in Bi-based binary compounds A3Bi (A = K, Rb)
  66. High thermal conductivity of carbon allotropes and its relationship with mechanical properties: A first-principles study
  67. Theoretical prediction of mechanics, transport, and thermoelectric properties of full Heusler compounds Na2KSb...
  68. Low lattice thermal conductivity of hydride‐based cubic antiperovskites A 3 HB (a = Li, Na; B = S, se, Te) with higher‐order anharmonici...
  69. Study on the thermoelectric properties of p-type doped CsCdF3 and CsHgF3 with quartic anharmonicity
  70. Thermoelectric performance in the binary semiconductor compound A2Se2
  71. High performance NiOx nanoplatelet based films by a scrape-coating method for bifunctional electrochromic and energy storage devices
  72. Ultra-low lattice thermal conductivity and anisotropic thermoelectric transport properties in Zintl compound β-K2Te2
  73. Extremely Strong Four-Phonon Scattering and Ultra-Low Lattice Thermal Conductivity Due to Quartic Anharmonicity in Fluoride Perovskites Xhgf 3 (X = K, Rb)
  74. Two-Dimensional Conductive Metal–Organic Frameworks as Highly Efficient Electrocatalysts for Lithium–Sulfur Batteries
  75. Lattice thermal conductivity including phonon frequency shifts and scattering rates induced by quartic anharmonicity in cubic oxide and fluoride perovskites
  76. Low lattice thermal conductivity and high figure of merit in n‐type doped full‐Heusler compounds X 2 YAu (X = Sr, Ba; Y = as, Sb)
  77. Ultra-low lattice thermal conductivity and high thermoelectric efficiency of K3AuO
  78. Low thermal conductivity and good thermoelectric performance in mercury chalcogenides
  79. Quartic anharmonicity and ultra‐low lattice thermal conductivity of alkali antimonide compounds M 3 Sb ( M = K, ...
  80. Low thermal conductivity and good thermoelectric performance in mercury chalcogenides
  81. A comprehensive phonon thermal transport study of 2D hexagonal MX2 and orthorhombic M2X3 (M = Ni, Pd; X = S, Se and Te)
  82. Low lattice thermal conductivity and high figure of merit in p-type doped K3IO*
  83. First-principles study of phonon thermal transport in II–VI group graphenelike materials
  84. Anomalous electronic and thermoelectric transport properties in cubic Rb3AuO antiperovskite
  85. A comprehensive study of phonon thermal transport in 2D IV-VI semiconductors MX (M = Ge, Sn; X = S, Se)
  86. The structural, electronic and optic properties in a series of M2XY (M = Ga, In; X,Y = S, Se, Te) Janus monolayer materials based on GW and the Bethe-Salpeter equation
  87. Quartic anharmonicity and anomalous thermal conductivity in cubic antiperovskites A3B
  88. MgB4 trilayer film: A four-gap superconductor
  89. Phonon thermal transport in Janus single layer M2XY (M = Ga; X, Y = S, Se, Te): A study based on first-principles
  90. Two-gap and three-gap superconductivity in AlB2 -based films
  91. Comprehensive calculations and prominent thermoelectric properties of Li3P and Li3As
  92. Computationally predicting spin semiconductors and half metals from doped phosphorene monolayers
  93. Ab initio study on anisotropic thermoelectric transport in ternary pnictide KZnP
  94. Pressure induced excellent thermoelectric behavior in skutterudites CoSb3 and IrSb3
  95. The excellent TE performance of photoelectric material CdSe along with a study of Zn(Cd)Se and Zn(Cd)Te based on first-principles
  96. Lattice thermodynamic behavior in nuclear fuel ThO2 from first principles
  97. Mechanical anisotropy and ideal strength of ThBC
  98. Multigap anisotropic superconductivity in borophenes
  99. Low lattice thermal conductivity and excellent thermoelectric behavior in Li3Sb and Li3Bi
  100. Adsorptions of metal adatoms on graphene-like BC 3 and their rich electronic properties: A first-principles study
  101. Robust quantum spin Hall state and quantum anomalous Hall state in graphenelike BC3 with adatoms
  102. Phonon thermal transport in monolayer FeB2 from first principles
  103. Intrinsic electronic transport and thermoelectric power factor in n-type doped monolayer MoS2
  104. Phonon thermal transport in a class of graphene allotropes from first principles
  105. Low lattice thermal conductivity and good thermoelectric performance of cinnabar
  106. Thermal expansion induced reduction of lattice thermal conductivity in light crystals
  107. First-principles energy and vibration spectrum simulations of Cr/V interacting with H in W-based alloy in a fusion reactor
  108. High thermopower and potential thermoelectric properties of crystalline LiH and NaH
  109. Band Gap Adjustment of SiC Honeycomb Structure through Hydrogenation and Fluorination
  110. Exotic thermoelectric behavior in nitrogenated holey graphene
  111. Geometric phase and quantum interference in photosynthetic reaction center: Regulation of electron transfer
  112. First-principles study on the structure stability and doping performance of double layer h-BN/Graphene
  113. Electronic Structure and Optical Properties in Uranium Dioxide: the First Principle Calculations
  114. Electronic properties of fluorinated/semi-fluorinated boron–carbon monolayer: A first-principles study
  115. Nonlinear dynamical behavior of Xenon atoms along dislocation lines in UO2+x nuclear fuel
  116. Effect of carbon content and electronic strong correlation on the mechanical and thermodynamic properties of ytterbium carbides
  117. A possible critical temperature mechanism for H blistering nucleation/dissociation in metals
  118. Statistical model and first-principles simulation on concentration of He V cluster and He bubble formation in α-Fe and W
  119. Novel spin-electronic properties of BC7 sheets induced by strain
  120. Hydrogen storage capacity of Li-adsorbed BC3 sheet tuned by the Li atom coverage rate
  121. Worthy hydrogen storage capacity of Li-decorated BC7 sheet
  122. First-principles study of nitrobenzene adsorption on graphene
  123. Guiding modes of semi-infinite nanowire and their dispersion character
  124. Influence of carbon–vacancy interaction on carbon and vacancy diffusivity in tungsten
  125. Purcell factor for a cylindrical nanocavity: ab initio analytical approach: comment
  126. Electronic and magnetic properties of fluorinated graphene sheets with divacancy substitutional doping
  127. First principles study of fluorinated boron-carbon sheets
  128. Hydrogen Storage Capacity Study of a Li+Graphene Composite System with Different Charge States
  129. Elucidating hydrogen assisting vacancy formation in metals: Mo and Nb as examples
  130. Different decoherence rates of an electron in a multi-state system induced by measurement
  131. Study of the high hydrogen storage capacity on 2D Li+BC3 complex
  132. Diffusion behaviors of hydrogen isotopes in niobium from first-principles
  133. A direct suppression of green band emission of ZnO particles by adjusting the volume fraction of ethanol in reaction solutions
  134. Orthorhombic HoMnO3/Nb-doped SrTiO3 epitaxial heterojunctions fabricated by pulsed laser deposition
  135. Thermionic and Frenkel-Poole emission effects in orthorhombic HoMnO3/Nb-doped SrTiO3 epitaxial heterojunctions
  136. Dopings in the transition-metal aluminides OsAl2 to obtain materials with high spin polarization: A first-principles study
  137. Optical properties of InN rods on sapphire grown by metal–organic chemical vapor deposition
  138. Structural and optical properties of the S-doped ZnO particles synthesized by hydrothermal method
  139. Fabrication and Microstructure Characterization of Polytypic ZnS Nanocables: Symmetrical HWZ Twinned Nanobelts Grown on the Surface of CZB Nanowire
  140. Enhancement of optical nonlinearity in binary metal–nanoparticle arrays
  141. Layered growth model and epitaxial growth structures for SiCAlN alloys
  142. Nonlinear optical properties of periodic gold nanoparticle arrays
  143. A TDDFT study on the excitation of P700
  144. Mesoscopic terahertz photoelectric switch
  145. Effect of Bias Step on the I – V Curve in Double-Barrier AlGaAs/GaAs/AlGaAs Resonant-Tunnelling Devices
  146. Tuning bistability and current hysteresis in resonant-tunneling structures
  147. Electron transport properties through double-barrier structures sandwiching a wide band-gap layer
  148. Multiple-frequency current oscillations in GaAs-AlGaAs quantum wells containing a thin semi-insulating layer
  149. Picosecond nonlinear optical response of Ba 0.5 Sr 0.5 TiO 3 thin films fabricated by pulsed laser deposition
  150. Study on the current bistability and hysteresis in resonant-tunneling structures
  151. SYNTHESIS AND PROPERTY STUDY OF NANOPARTICLE QUATERNARY SEMICONDUCTOR SiCAlN FILMS WITH CO-SPUTTERING UNDER LOWER TEMPERATURE
  152. Time-dependent transport properties in quantum well with thin inserted layer
  153. Many-body Green’s function theory of ferromagnetic Heisenberg systems with single-ion anisotropies in more than one direction
  154. Quantum Statistical Calculation of Exchange Bias
  155. Intensive blue-light emission from semiconductor GaN nanowires sheathed with BN layers
  156. Reconstruction of electronic filling spectra caused by the deformation in few-electron quantum dots
  157. Excess electron filling spectra in artificial spherical shell quantum dots
  158. Growing and welding branched-structure semiconducting In2O3nanowires
  159. Electric-field and magnetic-field effects on electronic tunneling through magnetic-barrier nanostructures
  160. Study on the coupled multiple nanocrystal quantum-dot system
  161. A route to Ag-catalyzed growth of the semiconducting In2O3 nanowires
  162. Study of the electric capacitance spectra on symmetric quantum-dot pattern
  163. Excess electron filling spectra in core/shell spherically symmetrical quantum dots
  164. Self-assembled large-scale and cylindrical CuInSe2quantum dots on indium tin oxide films
  165. Influence of parameters and substrates on the diameter of CuInSe2 nanoparticle thin films by rf reactive sputtering
  166. Spin configuration transformation in laterally coupled few-electron artificial molecules
  167. Effect of Substrates on CuInSe2 Nanoparticle Thin Films by Radio Frequency Reactive Sputtering
  168. Few-electron filling effect in laterally coupled spherical InAs/GaAs quantum-dot system
  169. Strong couplings of heavy mesons to a light vector meson in QCD
  170. Electron States of Few-Electron Quantum Dots
  171. Electronic Transport Through Three-Dimensional Metal Point Contact with Rough Boundaries