SeO 2 adsorption on CaO surface: DFT and experimental study on the adsorption of multiple SeO 2 molecules

Deepening the Valance Band Edges of NiOx Contacts by Alkaline Earth Metal Doping for Efficient Perovskite Photovoltaics with High Open‐Circuit Voltage

“…To investigate the chemical composition and electronic states of pristine NiO x and alkaline earth metal‐doped NiO x , the incorporation of Mg, Ca, Sr, and Ba is revealed by the X‐ray photoelectron spectroscopy (XPS) analysis. As shown in Figure b–e, the signals of Mg 2p, Ca 2p, Sr 3d, and Ba 3d are clearly detected at corresponding binding energies, all of which present to be divalent . The actual doping contents for different alkaline earth metal‐doped NiO x HTLs are estimated to be 4.89%, 5.65%, 5.02%, and 5.40% for Mg:NiO x , Ca:NiO x , Sr:NiO x , and Ba:NiO x films, respectively, by the integration of corresponding XPS peaks (Table S2, Supporting Information).…”

Atmospheric pressure chemical vapor deposition growth of vertically aligned SnS2 and SnSe2 nanosheets

“…The Se contribution cannot be attributed to SeO 2 , as this contribution is centered at much higher binding energy, around 59.5 eV. 75,78 Alternatively, the formation of SnSe 2Àx metastable phase can be considered. Indeed, D'Olimpio et al 75 did a careful investigation of SnSe 2 chemistry when exposed to different environment.…”

Theoretical Study of As2O3 Adsorption Mechanisms on CaO surface

“…In our previous study, the CaO(001) slab model has been widely used for CO 2 [ 35 ], Se 0 [ 36 ] and SeO 2 [ 37 ] heterogeneous adsorption reaction, in which the good consistency with experimental work has been proven. Similarly, a 4-layer 3 × 3-surface CaO (001) slab was modeled to describe the CaO surface between CaO and As 2 O 3 in this study.…”