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There is also evidence for a conformation where the deprotonated His coordination is maintained, but the intact His ligand adopts a more canonical structure, coordinating with the metal atom at the amine nitrogen and π nitrogen, [Nα,Nπ,CO-][Nα,Nπ]gtgg. For both metallated species, B3LYP, B3P86, and B3LYP-GD3BJ levels of theory appear to describe the relative stability of the dominant zwitterionic species more accurately than the MP2(full) level.Compared with single-component metal oxides, multicomponent metal oxides show good gas sensing performance in the field of gas sensing, but they still need to be further improved in terms of rapid response. In this paper, a two-dimensional flaky WO3/Bi2W2O9 composite material with a thickness of about 32.3 nm was synthesized by a simple solvothermal method. The composite has good sensing performance and selectivity toward H2S. When the operating temperature is as low as 92 °C, the response to 100 ppm H2S reaches 84.18, and the response time is 2 s, which is extremely fast due to the open system of the two-dimensional nanosheet. A combination of gas chromatography-mass spectrometry (GC-MS) and X-ray photoelectron spectroscopy (XPS) is used to analyze the changes of H2S and the surface chemistry of WO3/Bi2W2O9 composite materials; the sensing mechanism of H2S was studied by a Kelvin probe and UV diffuse reflection. Compared with the pure phase WO3 and Bi2W2O9, good gas sensing properties of the WO3/Bi2W2O9 composite may be due to its unique heterostructure. This is the first application of WO3/Bi2W2O9 in the field of gas sensing and is of great significance for the rapid detection of H2S at low temperatures for multicomponent metal oxides.The electric-field-assisted hydrogenation and corresponding resistance modulation of NdNiO3 (NNO) thin-film resistors were systematically studied as a function of temperature and dc electric bias. Catalytic Pt electrodes serve as triple-phase boundaries for hydrogen incorporation into a perovskite lattice. A kinetic model describing the relationship between resistance modulation and proton diffusion was proposed by considering the effect of the electric field during hydrogenation. An electric field, in addition to thermal activation, is demonstrated to effectively control the proton distribution along its gradient with an efficiency of ∼22% at 2 × 105 V/m. The combination of an electric field and gas-phase annealing is shown to enable the elegant control of the diffusional doping of complex oxides.Unconventional borosulfates containing S-O-S bridges are still rare. Sr[B2(SO4)3(S2O7)] was synthesized solvothermally in oleum (65% SO3) and crystallizes in a new structure type in space group P21/n (Z = 4, a = 747.0(2) pm, b = 1533.4(4) pm, c = 1222.0(3) pm, β = 93.293(10)°). The structure features loop-branched vierer double chains, in which two terminal sulfate tetrahedra are condensed to a disulfate group. The resulting ratio between boron and sulfur of 25 was not yet found in borosulfate chemistry. The presence of S-O-S bridges was confirmed by FT-IR spectroscopy. Temperature-programmed X-ray powder diffraction in addition to thermogravimetric analysis revealed a transformation from chains containing S-O-S bridges in Sr[B2(SO4)3(S2O7)] to chains containing solely B-O-S bridges in Sr[B2(SO4)4] and to chains containing B-O-B bridges in Sr[B2O(SO4)3].Purpose-built molecules that follow the fundamental process of photosynthesis have significance in developing better insight into the natural photosynthesis process. click here Quinones have a significant role as electron acceptors in natural photosynthesis, and their reduction is assisted through H-bond donation or protonation. The major challenge in such studies is to couple the multielectron and proton-transfer process and to achieve a reasonably stable charge-separated state for the elucidation of the mechanistic pathway. We have tried to address this issue through the design of a donor-acceptor-donor molecular triad (2RuAQ) derived from two equivalent [Ru(bpy)3]2+ derivatives and a bridging anthraquinone moiety (AQ). Photoinduced proton-coupled electron transfer (PCET) for this molecular triad was systematically investigated in the absence and presence of hexafluoroisopropanol and p-toluenesulfonic acid (PTSA) using time-resolved absorption spectroscopy in the ultrafast time domain. Results reveal the generation of a relatively long-lived charge-separated state in this multi-electron transfer reaction, and we could confirm the generation of AQ2- and RuIII as the transient intermediates. We could rationalize the mechanistic pathway and the dynamics associated with photoinduced processes and the role of H-bonding in stabilizing charge-separated states. Transient absorption spectroscopic studies reveal that the rates of intramolecular electron transfer and the mechanistic pathways associated with the PCET process are significantly different in different solvent compositions having different polarities. In acetonitrile, a concerted PCET mechanism prevails, whereas the stepwise PCET reaction process is observed in the presence of PTSA. The results of the present study represent a unique model for the mechanistic diversity of PCET reactions.The performance of perovskite solar cells (PSCs), especially for the parameters of open-circuit voltage (Voc) and fill factor, is seriously restricted by the unavoidable interfacial charge recombination. In this study, an ultrawide band gap semiconductor material of Ga2O3 is introduced between fluorine-doped tin oxide and SnO2 to regulate the interfacial charge dynamics by forming the Ga2O3/SnO2 electron-transporting bilayer. Ga2O3 has an appropriate conduction band minimum which benefits the electron transport, and at the same time, it has a very deep valence band maximum which could be regarded as an effective blocking layer. Such an innovative structure triggers the advantages of a lower work function and a smoother surface of the electron-transporting bilayer which leads to a high-quality perovskite film. Furthermore, superior hole-blocking properties of the introduced Ga2O3 layer could effectively reduce the interfacial recombination. All the properties could help to improve the extracting and transporting ability of charge carriers synergistically.