Fig. 2: Evaluation of photocatalytic CO2reduction. aThe evolution rates of CH4and CO in pure CO2.bOn-line monitoring of O2evolution during the photocatalytic reaction over Pd-HPP-TiO2.cPhotocurrent response during light on-off cycling.dComparison of the CH4evolution rates in pure CO2and air.eThe...
(8) can found to be Δ E = 6 be estimated to be or 4 kJ/mol, with or approximately − 57 kwJi/tmhooul tnCegOle2-cCtiOng2 sHy2sOte-mH2wOasinetsetriamctaitoends.toTohaivneclaundeavthereaglaetteenr etregrymo, fw1e5n koJ/tme tohlaatnadn H-bond between ...
Hydrogenolysis of a series of model Ziegler–Natta (Z–N) catalysts to form Ti–H bond was studied within DFT. We focused our efforts on Ti species attache... N Bahri-Laleh,M Nekoomanesh-Haghighi,SA Mirmohammadi - 《Journal of Organometallic Chemistry》 被引量: 26发表: 2012年 Chemical ...
Electrocatalytic CO2reduction reaction (CO2RR) is an attractive way to simultaneously convert CO2into value-added fuels and chemicals as well as to store intermittent electricity derived from renewable energy. However, this process involves multiple proton and electron transfer steps and is kinetically ...
Our results predict that the stability of CO2 − depends strongly on whether it is formed near the equilibrium bond angle (135°), the most stable situation, or at significantly different angles. The calculations show that the 6a 1 molecular orbital of CO2 − is diffuse in character and ...
The Arellano and Bond (1991) type one-step estimator uses the identity matrix as a weighting matrix (Cameron and Trivedi 2005). The one-step GMM uses the weighting matrix and the estimator as defined in Eqs. (17) and (18). $$ {W}_N={\left[{\sum}_i{Z}_i^{\prime }{Z}_i\...
Figure 1H shows the results of Fourier transforms of Co K-edge extended X-ray absorption fine structure (FT-EXAFS) spectra of the samples. Compared with the spectra for standard Co foil and CoO, the Co-Ti3C2Tx sample does not show the peak for the Co-Co bond, which further confirms ...
Light-induced vibrational structure inH2+andD2+in intense laser fields Molecular bond-softening and above-threshold dissociation of H2+ and D2+ in intense laser fields is reexamined using 160 fs pulses of 769 nm light. At inte... A.,Zavriyev,P.,... - 《Physical Review Letters》 被引量...
The clumped isotopologue space illustrates whether measured CH4is at internal thermodynamic equilibrium (black line) or not. The thermodynamic equilibrium curve is calculated following ref.41. The shaded cross represents thermal equilibration to current reservoir temperatures in each isotopologue. The arrows...
In this context, copper seems to be a unique element that unifies the properties of a high H2-overpotential enabling operation in low-cost aqueous electrolytes, comparably low CO2-reduction overpotentials and being the only element featuring C–C–bond formation and formation of products originating...