相关论文: Work Function Trends and New Low Work Function Bor…
Amidst the growing importance of hydrogen in a sustainable future, it is crucial to develop coatings that can protect hydrogen-sensitive system components in reactive hydrogen environments. However, the prediction of the chemical stability…
Hydrogen, crucial for the green energy transition, poses a challenge due to its tendency to degrade surrounding wall materials. To harness hydrogen's potential, it is essential to identify materials' parameter(s) that modulate…
Group theory and density functional theory methods are combined to obtain compact and accurate $k\cdot p$ Hamiltonians that describe the bandstructures around the $K$ and $\Gamma$ points for the 2D material hexagonal boron arsenide (h-BAs)…
The development of multifunctional devices calls for the discovery of new layered materials with novel electronic properties. f-electron systems naturally host a rich set of competing and intertwining phases owning to the presence of strong…
Since the discovery of pressure-induced superconductivity in the two-leg ladder system BaFe$_2X_3$ ($X$=S, Se), with the 3$d$ iron electronic density $n = 6$, the quasi-one-dimensional iron-based ladders have attracted considerable…
Polymer diodes require cathodes that do not corrode the polymer but do have low work function to minimize the electron injection barrier. First-principles calculations demonstrate that the work function of the (1000) surface of the compound…
Hexagonal boron nitride (h-BN) is a promising material for implementation in spintronics due to a large band gap, low spin-orbit coupling, and a small lattice mismatch to graphene and to close-packed surfaces of fcc-Ni(111) and…
Recently it has been discovered that weak ferromagnetism of a dilute 3D electron gas develops on the energy scale of the Fermi temperature in some of the hexaborides; that is, the Curie temperature approximately equals the Fermi…
For the first time, a group of CaB6-typed cubic rare earth high-entropy hexaborides have been successfully fabricated into dense bulk pellets (>98.5% in relative densities). The specimens are prepared from elemental precursors via in-situ…
Improving the film quality in the synthesis of large-area hexagonal boron nitride films (h-BN) for two-dimensional material devices remains a great challenge. The measurement of electrical breakdown dielectric strength (EBD) is one of the…
Recent researches in thermal energy harvesting have revealed the remarkable efficiency of thermionic energy converters comprising very low work function electrodes. From room temperature and above, this kind of converter could supply low…
A recent experimental study reported the successful synthesis of an orthorhombic FeB4 with a high hardness of 62 GPa, which has reignited extensive interests on whether transition metal borides (TRBs) compounds will become superhard…
Van der Waals heterostructures are at the forefront in materials heterostructure engineering, offering the ultimate control in layer selectivity and capability to combine virtually any material. Hexagonal boron nitride (hBN), the most…
Quantum emitters in two-dimensional hexagonal boron nitride (h-BN) have generated significant interest due to observations of ultra-bright emission made at room temperature. The expectation that solid-state emitters exhibit broad…
To pursuit high electrochemical performance of supercapacitors based on Faradaic charge-transfer with redox reaction or absorption/desorption effect, the intercalation efficiency of electrolyte ions into electrode materials is a crucial…
Miniaturization of electronic components has led to overheating, increasing power consumption and causing early circuit failures. Conventional heat dissipation methods are becoming inadequate due to limited surface area and higher…
GaSb:N displays promise towards realization of optoelectronic devices accessing the mid-infrared wavelength regime. Theoretical and experimental results on its electronic and optical properties are however few. To address this, we present a…
The recent discovery of superconductivity at high pressure in the two-leg ladder compounds BaFe$_2X_3$ ($X$=S, Se) started the novel field of quasi-one-dimensional iron-based superconductors. In this publication, we use Density Functional…
We determine the work functions of the iron arsenic compounds $A$Fe$_2$As$_2$ ($A=\mathrm{Ca, Ba, Cs}$) using photoemission spectroscopy to be 2.7 eV for CaFe$_2$As$_2$, 1.8 eV for BaFe$_2$As$_2$, and 1.3 eV for CsFe$_2$As$_2$. The work…
Transition metal penta-tellurides, ZrTe5 and HfTe5 have been recently drawn a lot of attention due to their fascinating physical properties and for being prominent materials showing topological phase transitions. In this study, we…