Silicon Clathrate‐Supported Catalysts with Low Work Functions for Ammonia Synthesis
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Materials"
DOI: 10.1002/adma.202406944
Abstract: Diamond‐type silicon has a work function of ≈4.8 eV, and conventional n‐ or p‐type doping modifies the value only between 4.6 and 5.05 eV. Here, it is shown that the alkali clathrates AxSi46 have substantially… read more here.
Keywords: low work; work; clathrate; work function ... See more keywords
3D Topological Inorganic Electrides: Screening, Properties, and Applications
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Science"
DOI: 10.1002/advs.202507469
Abstract: The convergence of inorganic electrides and topological quantum phenomena has ushered in novel paradigms for designing advanced quantum materials. While low‐dimensional (0–2D) topological inorganic electrides have garnered considerable attention, their three‐dimensional (3D) counterparts—featuring intricate interstitial… read more here.
Keywords: screening properties; topological inorganic; work functions; properties applications ... See more keywords
Influence of electrode materials (Ag, Au) on NiO/TiO2 heterojunction UV photodetectors
Sign Up to like & getrecommendations! Published in 2020 at "Optik"
DOI: 10.1016/j.ijleo.2020.165705
Abstract: Abstract Ag and Au are typical electrode materials for NiO/TiO2 heterojunction ultraviolet photodetectors (UV PDs), but the influence of work functions of Ag and Au on performance of devices has not been investigated. We synthesized… read more here.
Keywords: electrode materials; tio2 heterojunction; heterojunction; work functions ... See more keywords
Reduction in Work Functions of Transition-Metal Carbides and Oxycarbides upon Oxidation
Sign Up to like & getrecommendations! Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c01671
Abstract: Herein, the work functions of group 4 and group 5 transition-metal (Ti, Zr, Hf, V, Nb, and Ta) carbides and transition-metal oxycarbides (TMCOs) were investigated by first-principles calculations for their potential application as electron emitters.… read more here.
Keywords: reduction work; work functions; group; transition metal ... See more keywords
Machine learning-assisted high-throughput screening of transparent organic light-emitting diode anode materials
Sign Up to like & getrecommendations! Published in 2024 at "Chemical Science"
DOI: 10.1039/d4sc05598e
Abstract: Securing optimal work functions for two-dimensional (2D) nanomaterials in Organic Light-Emitting Diodes (OLEDs) is crucial for enhancing the internal quantum efficiency of a device. However, the conventional approach to material discovery, which relies on empirical… read more here.
Keywords: high throughput; organic light; work; machine learning ... See more keywords
First-principles study of work functions and micro-galvanic corrosion between Mg and Mg–Dy intermetallics
Sign Up to like & getrecommendations! Published in 2025 at "Modelling and Simulation in Materials Science and Engineering"
DOI: 10.1088/1361-651x/addadc
Abstract: The rare earth element Dy, as an alloying element, is applied in the preparation of binary magnesium alloys and has a positive impact on the corrosion resistance and mechanical properties of magnesium alloys. However, during… read more here.
Keywords: work functions; micro galvanic; first principles; corrosion ... See more keywords