Cu and graphene oxide composites (Cu-GO) were designed by anchoring Cu via oxygen groups in GO based on the heavy co-relationships of copper (Cu) anode electrocatalytic activity with Cu valence state. With the consumption of oxygen groups under various pyrolysis temperatures, the Cu valence state changed from Cu ions (as CuCl and CuCl) to Cu oxide (CuO and CuO) and the final metallic Cu. In which the Cu in CuCl was more favorable for electrocatalytic oxidation than other Cu valence states. Due to the dramatic contribution of O and active chlorine, 100% degradation efficiency was achieved using tetracycline hydrochloride (TCH) as the target pollutant. Cu showed a selective preference for O and active chlorine triggering, rather than metallic Cu. Under the attack of O and active chlorine, the degradation intermediates of TCH were then provided by LC-MS results. The final results not only prove the feasibility of the Cu-GO/electrocatalysis system for pollution control but also shed light on the anode design via Cu valence state modulation.
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http://dx.doi.org/10.1007/s11356-023-30269-2 | DOI Listing |
J Phys Chem A
January 2025
School of Applied Science and Humanities, Haldia Institute of Technology, ICARE Complex, Haldia 721657, India.
This study explores the reactivity of a new intermolecular P/B frustrated Lewis pair in the context of dinitrogen activation through a push-pull mechanism. The ab initio molecular dynamics model known as atom-centered density matrix propagation plays a pivotal role in elucidating the weakly associated encounter complex. In-depth analysis, mainly through intrinsic reaction coordinate calculations, supports a single-step mechanism.
View Article and Find Full Text PDFNat Commun
January 2025
School of Material Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, People's Republic of China.
Interlayer coupling in 2D heterostructures can result in a reduction of the rotation symmetry and the generation of quantum phenomena. Although these effects have been demonstrated in transition metal dichalcogenides (TMDs) with mismatched interfaces, the role of band hybridization remains unclear. In addition, the creation of flat bands at the valence band maximum (VBM) of TMDs is still an open challenge.
View Article and Find Full Text PDFJ Phys Condens Matter
January 2025
Physics, Florida State University, 612 Keen Building, Florida State University, Tallahassee, Florida, 32306, UNITED STATES.
We argue that alternating-layer structures of lattice mismatched or misaligned (twisted) atomically-thin layers should be expected to be more efficient absorbers of the broad-spectrum of solar radiation than the bulk material of each individual layer. In such mismatched layer-structures the conduction and valence bands of the bulk material, split into multiple minibands separated by minigaps confined to a small-size emerging Brillouin zone due to band-folding. We extended the Shockley-Queisser approach to calculate the photovoltaic efficiency for a band split into minibands of bandwidth $\Delta E$ and mini-gaps $\delta G$ to model the case when such structures are used as solar cells.
View Article and Find Full Text PDFInorg Chem
January 2025
Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, China.
Dative bonds are typically polar, weaker, and longer than electron-sharing covalent bonds. The intriguing diatomic BeF anion uniquely exhibits triple Be-F dative bonding with a considerable bond dissociation energy (BDE) of 88 kcal/mol. Here, we report exceptionally strong dative-bonded systems, [CO]BeF and [CO]BeF, with BDE values exceeding 155 kcal/mol by integrating [CO] and [CO] groups into the BeF framework.
View Article and Find Full Text PDFChemSusChem
January 2025
Dalian University of Technology, State Key Laboratory of Fine Chemicals, 2 Ligong Rd., 116024, Dalian, CHINA.
Understanding the impact of surface copper valence states on the distribution of electrochemical carbon dioxide products is critical. Herein, CuO@Cu2O with a Cu2+/Cu+ interface was fabricated using wet chemical etching approach. The hollow shape offered a large region for gas adsorption, while the interfacial mixed chemical state of Cu2+/Cu+ with tunable control ratio raised the local density of CHO* and accelerated the carbon-carbon coupling reaction.
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