THE ORDER OF THE PRINCIPAL AXIS IS 3 ATOM ATOMIC COORDINATES (BOHR)CHARGE X Y Z N 7.0 .0000000000 .0000000000 -.0037259860 H 1.0 -.8887078684 1.5392871812 .8012233886 H 1.0 -.8887078684 -1.5392871812 .8012233886 H ...
When the literature is examined, especially in theoretical studies, while calculating the electronic bandgap of perovskite materials based on the interactions of valence electrons by using electronic arguments (or data) such as the density of state (DOS), partial density of state (pDOS), and ...
Based on the theory that one mole of an ideal gas at standard temperature and pressure (STP) occupies 22.4 L when the NOx gas flow rate is 1 mL/min, the total molar amount of NO2 gas that passes through the electrolyte solution within an hour can be calculated as follows:(Equation 1)...
The molecular weights of both crystals decreased as the temperature increased. The amount of residue at higher temperatures was calculated based on the total molecular weight. By considering the number roefsCpHec2tiuvneliyts, in the methylene marked the onset length, the molecular weight loss ...
of the Al salt, a large amount of EFAL is swept away during the washing process, which reduces the total acidity of the Al-SBA-15 catalyst. Therefore, the development of an efficient way for effectively doping Al in SBA-15 with suitable acidity holds the key to the molecular design of ...
The introduction of Mo–Sb enhanced the total number of acid sites on the catalyst surface, where abundant Brønsted acid sites contributed to enhanced performance at low temperatures. The improvement in catalytic activity is due to the fact that the addition of Mo–Sb enhances the electron ...
0.01747 0.01706 0.00882 0.00994 0.00958 Total EHB of α-mode 0.03072 0.03052 0.02410 0.02437 0.02419 0.00913 0.01070 0.01007 0.01038 0.01603 Total EHB of β-mode 0.02397 0.02408 0.02408 0.02401 0.02731 EHB(meV) 99.20 97.28 59.61 62.95 62.02 381.06(meV) 59.92 64.27 62.58 63.12 87.30 337.19(meV) ...
The organic–inorganic hybrid perovskite compounds have been extensively studied since the dawn of a new era in the field of photovoltaic applications. Up to now, perovskites have proven to be the most promising in terms of power conversion efficiency; h
(c) Influence of inlet water concentrations (10 vol%) on NO conversion in the SCR reaction over Mn–Ni(0.4)/TiO2 catalyst at 200 °C (GHSV = 50,000 h‒1; feed: NO = 400 ppm, NH3 = 400 ppm, O2 = 2 vol%, He carrier gas, catalyst = 0.1 g, total flow = 140 mL min‒1...
and negative values of the total energy density, HBCP, except for the system with the largest Ag–Ag bond in this set ((PzAg)2(NH3)2). Excellent exponential relationships are obtained between the ρBCP and ∇2ρBCP and the interatomic distance in agreement with previous reports (Figure ...