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Article
Chemistry, Physical
Daniela Morales-Pumarino et al.
Summary: π-π interactions are important for biological systems and materials, but studying them is challenging. Density functional theory (DFT) fails to describe these interactions accurately, and little is known about the error in the electron density. The Non-Covalent Interaction method (NCI) has limited capability in analyzing these interactions.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Agricultural Engineering
Guojun Hao et al.
Summary: This study investigated the depolymerization of lignin using CoMo sulfide catalysts supported on different carriers in a supercritical ethanol system. The effects of temperature, time, MoS2, and carrier on the lignin depolymerization were examined. The Co-Mo-S/ZrO2 catalyst showed a liquefaction yield of 95.76% with minimal char formation at 340 degrees C for 150 minutes. The liquid product mainly consisted of C-4-C-8 alcohols, C-4-C-10 esters, and C-7-C-10 aromatic compounds. The synergistic effect of active and acid-base sites on the support played a crucial role in the lignin depolymerization process.
BIOMASS & BIOENERGY
(2022)
Article
Electrochemistry
Sobin Mathew et al.
Summary: In this study, vertically aligned cobalt molybdenum sulfide (CoMoS) nanosheets were synthesized on a conductive polyaniline (PANI) nanowire to fabricate a CoMoS-PANI nanosheet array. The nanosheet array showed low overpotentials for oxygen and hydrogen evolution reactions in an alkaline solution, achieving high current densities. As an electrolyzer for water splitting, the CoMoS-PANI nanosheet array exhibited good stability and high efficiency. The improved electrocatalytic activity of CoMoS-PANI was attributed to its defect-rich structure, effective electron transfer through the PANI nanowire, and the abundant catalytic sites provided by the hybrid structure.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Physical
Jiaqi Wang et al.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
An Wang et al.
Summary: Herein, two component ultrathin nanosheets coated on cobalt MOF were successfully obtained via a solvothermal process combined hydrothermal method. The resulting materials exhibit high specific capacitance and can be used in supercapacitors.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Physical
Anabel D. Delgado et al.
Summary: In this study, CoMoS catalysts were synthesized and supported on porous alumina spheres for dual applications in hydrodesulfurization and energy storage. The results showed that using Pluronic P-123 as a surfactant resulted in better dispersion of MoS2 slabs on the alumina spheres, leading to improved catalytic efficiency in the hydrodesulfurization reactions. Additionally, the CoMoS catalysts exhibited excellent activity and stability for oxygen reduction and oxygen evolution reactions in rechargeable Zn-air batteries.
Article
Chemistry, Physical
Yijin Zhang et al.
Summary: This study reports a method to enhance the activity of hydrodeoxygenation of p-cresol using a Bronsted acid catalyst. The reaction rate was significantly increased, and the findings can provide new guidance for the design of industrialized CoMoS catalysts for HDO reactions.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Nguyen Van Hoa et al.
Summary: Transition metal chalcogenides have been widely studied as active electrode materials, and in this study, a hierarchical Co-Mo-S nanosheets electrode was successfully fabricated on nickel foam using a facile hydrothermal method under microwave irradiation. The electrode exhibited high specific capacitance, excellent cycling stability, and was further applied in an asymmetric supercapacitor with activated carbon, showing high capacitance and energy density.
JOURNAL OF MATERIALS SCIENCE
(2021)
Article
Multidisciplinary Sciences
G. W. K. Moore et al.
Summary: Ice arches at the northern and southern ends of Nares Strait, a key passage in the Arctic, are forming for shorter durations, leading to increased ice transport and accelerating the export of multi-year ice.
NATURE COMMUNICATIONS
(2021)
Article
Engineering, Chemical
Peng Zheng et al.
Summary: Density functional theory calculations were used to investigate the hydrodesulfurization (HDS) mechanisms of different sulfur-containing compounds on various sites, revealing that the brim site is more favorable for the HDS reactions of thiophene and benzothiophene, while both brim and CUS sites are involved in the DBT and 4,6-DMDBT HDS processes. The proposed mechanism suggests a synergistic effect of brim and CUS sites for the HDS reaction of highly refractory organic sulfides.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Chemistry, Physical
Ricardo Garcia de Castro et al.
Summary: The study investigates the surface-dependent genesis of supported transition metal sulfide catalysts on single crystals, revealing the impact of metal-support interactions and providing theoretical support for the improvement of hydrotreating catalysts.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Inorganic & Nuclear
Hadi Kargar et al.
Summary: A novel series of transition metal complexes of Cu(II) and Zn(II) with halogenated bis-N,O-bidentate Schiff base ligands have been synthesized and characterized. The crystal structures of some compounds were determined by X-ray analysis, and theoretical calculations using DFT methods confirmed the experimental findings. The binding ability of the ligands and metal complexes with DNA was studied through spectroscopic and computational methods, showing binding in DNA's minor grooves.
Article
Physics, Condensed Matter
Zhen Cui et al.
Summary: The study investigates the optical, magnetic, and electronic properties of 16 transition metal adsorbed puckered arsenene systems, revealing diverse behaviors such as magnetic semiconductors and metals. The adsorption of transition metals results in lower work function and enhanced absorption spectrum in the puckered arsenene systems, indicating potential applications in field emission, spin electronics, and photocatalysis nanodevices.
SUPERLATTICES AND MICROSTRUCTURES
(2021)
Article
Chemistry, Physical
Sourav Ghosh et al.
Summary: The catalytic performances of promoted CoMoS catalysts were greatly improved by structuring the active phase using self-assembled PANI nanowires, followed by the addition of cobalt acetylacetonate on oxidic or sulfided Mo-based hybrids. The highest rate constants normalized by mol of (MoS2)(edges+corner) in the hydrodesulfurization of 3-methylthiophene were obtained when Co(acac)(2) was deposited on a MoS3/PANI hybrid precursor. The normalized HDS rate constants for the different samples increased with the Co/Moedges+corner atomic ratios, with an optimum observed for HDS/HYD selectivity in the same ratio.
APPLIED CATALYSIS A-GENERAL
(2021)
Article
Chemistry, Multidisciplinary
Ran Wang et al.
Summary: In this study, a series of 2D metal-organic frameworks were designed as efficient electrocatalysts for nitrogen reduction reaction (NRR), with W3C12X12 exhibiting the best performance. A d-band center descriptor strategy was proposed to screen high activity and selectivity of MOFs for NRR, demonstrating potential for further predicting catalytic activity in 2D MOFs.
Article
Chemistry, Multidisciplinary
Yuchen Sun et al.
Summary: In this study, various Co-Mo-S nanosheet networks were synthesized as electrode materials, showing high specific capacity and excellent cycling stability; a vulcanization strategy was used to enhance the electrochemical activity of molybdenum-based oxides; an assembled asymmetric supercapacitor exhibited impressive performance in terms of energy density and cyclic stability, with potential applications in portable energy storage devices.
Article
Chemistry, Inorganic & Nuclear
Shuchang Luo et al.
Article
Nanoscience & Nanotechnology
Ping Li et al.
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Physics, Multidisciplinary
Du Jian-Bin et al.
ACTA PHYSICA SINICA
(2019)
Article
Chemistry, Physical
Li Peng et al.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
(2018)
Article
Materials Science, Multidisciplinary
Simon Liebing et al.
Article
Chemistry, Physical
Octavio J. Juarez-Sanchez et al.
CHEMICAL PHYSICS LETTERS
(2013)
