Boron nanocluster as a heavy metal adsorbent in aqueous environment: A DFT Study

Dramatic acceleration by visible light and mechanism of AuPd@ZIF-8-catalyzed ammonia borane methanolysis for efficient hydrogen production

“…The enhanced field provokes increased generation of hot electrons and adsorption of the molecular substrate to Au 0.5 Pd 0.5 alloy NPs, leading to stronger adsorption of the metal-adsorbent complex. 51 Simultaneously, favorable reactant adsorption onto the metal NPs enhances catalytic activity. Lu et al observed that the local electric field formed by Ag NPs enhanced adsorption and subsequent photodehydrogenation of ammonia borane.…”

A first-principles investigation of Cr adsorption on C8 and B4N4 nanocages in aqueous mediums

“…The hardness (softness) decreased (increased) with decreasing energy gap, which satisfies previous studies. 8,59 The chemical potential and electrophilicity describe the reactivity of the structures. Both the value of ν and ξ decreased due to Cr-adsorption.…”

“…17 Milon et al reported strong adsorption energies of B 6 nanoclusters toward W 6+ , Cr 2+ , and Cd 2+ ions via DFT analysis. 8 Bui et al reported the interactions of Fe and Cr with silicene where the Cr atom is bound by comparatively lower energy. 20 Although various research studies on Cr atom adsorption have been reported previously, the adsorption of Cr atoms on distinct adsorbents needs to be studied, which might reveal an improvement in the adsorption/binding energy.…”

Experimental synthesis, functionalized modifications and potential applications of monoelemental zero-dimensional boron nanomaterials

“…Unprotected hydrogenated BNPs are reactive with O 2 and easily produce a hydrated boron oxide surface layer, but a high temperature (100 C) can lead to ready decomposition of hydrated boron oxide and desorption of H 2 O. Hydrogenated BNPs can promote a higher ame height in hypergolic ignition of ILs upon contact with nitric acid. Theoretical calculation studies have predicted various physical and chemical properties of nano-sized boron clusters, planar boron nanoclusters, BNPs and 0D boron-containing derivatives, 140,143,[151][152][153][154][155][156] including reactivity, properties, quantum rules, optical absorption spectra, transfer or adsorption behavior, gas sensing, heavy metal adsorbents, etc.…”