A first-principles study of Janus monolayer MXY (M = Mo, W; X, Y = S, Se, Te)/SiO2 van der Waals heterojunctions for integrated optical fibers

MXene@c-MWCNT Adhesive Silica Nanofiber Membranes Enhancing Electromagnetic Interference Shielding and Thermal Insulation Performance in Extreme Environments

“…First, TEOS, H 2 O and H 2 C 2 O 4 were mixed and stirred at room temperature at a molar ratio of 1:8.063:0.0186 for 10 h to prepare SiO 2 precursor sol. Second, SiO 2 sol and 10 wt% PVA solution were mixed at a mass ratio of 1:1 and stirred for 10 h to obtain the spinnable precursor solution [34]. Then, the SiO 2 /PVA nanofiber membranes (SPNM) were fabricated by an electrospinning device and the corresponding setting parameters were as follows: applied voltage of 14 kV, syringe boost speed of 1.1 mL h −1 , drum rotation speed of 140 rpm, receiving distance of 20 cm, and the relative humidity and temperature were 40%-50% and 23-25 °C, respectively [35].…”

Ostwald ripening mechanism-derived MnOOH induces lattice oxygen escape for efficient aqueous MnO2–Zn batteries

“…First principles calculations are widely used to characterize internal electrochemical mechanisms. [69][70][71][72][73][74] To conrm the impact of a lack of oxygen on the electronic properties of b-MnO 2 , further investigations are necessary. We obtained the density of states (DOS) of the two MnO 2 systems by DFT calculations (Fig.…”

First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga2SSe)/MoS2(MoSSe) heterojunctions

“…In 2017, Lu et al prepared monolayers of Janus MoSSe by chemical vapor deposition and further confirmed the existence of Janus MoSSe via scanning electron microscopy and X-ray photoelectron spectroscopy. 11 At present, the polar materials that have been reported are MXY (M = Mo, W, Cr, Pt; X, Y = O, S, Se, Te; XaY), [12][13][14][15] M 2 X 3 (M = Al, Ga, In; X = S, Se, Te), [16][17][18][19] Ga 2 XY(Y = S, Se, Te; X = S, Se, Te), [20][21][22][23][24][25] etc. The destruction of structural symmetry has a crucial role in the electronic structure of 2D materials as a result of the induced dipole arising along the vertical direction of 2D materials.…”