The recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, the so-called MXenes, has brought a new opportunity to materials science and technology. This review highlights the computational attempts that have been made to understand the physics and chemistry of this very promising family of advanced two-dimensional materials, and to exploit their novel and exceptional properties for electronic and energy harvesting applications.

Electronic properties and applications of MXenes: a theoretical review

Surface and Heterointerface Engineering of 2D MXenes and Their Nanocomposites: Insights into Electro- and Photocatalysis

Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications

Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materials science and technology. This review highlights the computational attempts that have been made to understand the physics and chemistry of this very promising family of advanced two-dimensional materials, and to exploit their novel and exceptional properties for electronic and energy harvesting applications.

Structure and mechanism in organic chemistry

Supported Pd-based catalyst over active nickel oxide (NiO) was repared using the impregnation method companying with UV-light irradiation. Moreover, the catalytic performance of the obtained Pd-based catalysts was evaluated towards the hydrogenation of o-chloronitrobenzene (o-CNB). Observations indicate that the as-prepared UV-irradiated Pd/NiO catalyst with a mole fraction 0.2% (0.2%Pd/NiO) has higher activity and selectivity in the o-CNB hydrogenation. Especially, UV-light irradiation played a positive role in the improvement of catalytic activity of 0.2%Pd/NiO catalyst, exhibiting an excess 11-fold activity superiority in contrast with non-UV-irradiated 0.2%Pd/NiO catalyst. In addition, it was investigated that effects of varied factors (i.e., reaction time, temperature, o-CNB/Pd ratio, Pd loading, hydrogen pressure) on the selective hydrogenation of ο-CNB catalyzed by UV-irradiated 0.2%Pd/NiO catalyst. Under the reaction conditions of 60 °C, 0.5 h, 1 MPa H₂ pressure, 100% conversion of o-CNB, and 81.1% o-CAN selectivity were obtained, even at high molar ratio (8000:1) of o-CNB to Pd.

UV Light-Assisted Synthesis of Highly Efficient Pd-Based Catalyst over NiO for Hydrogenation of o-Chloronitrobenzene

Two Schiff base Mn(III) complexes containing polyether side chain were synthesized and characterized. The catalytic hydrolysis of p‐nitrophenyl picolinate (PNPP) by the two complexes in the buffered CTAB micellar solution in the pH range of 6.60–8.20 was investigated kinetically in this study. The influences of acidity, temperature, and structure of complex on the catalytic cleavage of PNPP were also studied. The mechanism of PNPP hydrolysis catalyzed by Schiff base manganese(III) complexes in CTAB micellar solution was proposed. The relative kinetic and thermodynamic parameters were determined. Comparied with the pseudo‐first‐order rate constant (k 0) of PNPP spontaneous hydrolysis in water, the pseudo‐first‐order rate constants (k obsd) of PNPP catalytic hydrolysis are 1.93×103 fold for MnL1 2Cl and 1.06×103 fold for MnL2 2Cl in CTAB micellar solution at pH=7.00, T=25°C, and [S]=2.0×10−4mol · dm−3, respectively. Furthermore, comparing the k obsd of PNPP catalytic hydrolysis by metallomicelles with that ...

PNPP Cleavage Catalyzed by Schiff Base Mn(III) Complexes Containing Polyether Side Chains in CTAB Micellar Solutions

In Situ Hydrogen Activation Inspiring Efficient One-Pot Hydrogenation of Halogenated Nitrobenzenes over Ni–Co-Based Composites

Three novel binuclear copper(II) complexes with reduced L-serine Schiff bases were synthesized and their structures were analyzed with single-crystal X-ray diffraction and DFT calculations The crystal data revealed that all of these binuclear complexes are chiral Both 5-halogenated (bromo- and chloro-) binuclear complexes exhibit right-handed helix structural character Interestingly, the 5-methyl-containing analogue has a two-dimensional pore structure In this paper, the esterolysis reactivity of the as-prepared complexes shows that in the hydrolysis of p-nitrophenyl acetate (PNPA) these three complexes provide 26, 18, 40-fold rate acceleration as compared to the spontaneous hydrolysis of PNPA at pH 70, respectively Under selected conditions, in excess buffered aqueous solution a rate enhancement by three orders of magnitude was observed for the catalytic hydrolysis of another carboxylic ester, p-nitrophenyl picolinate (PNPP) These complexes efficiently promoted PNPP hydrolysis in a micellar solution of cetyltrimethylammonium bromide (CTAB), giving rise to a rate enhancement in excess of four orders of magnitude, which is approximately 20–32 times higher than that in the buffer

Structures and esterolytic reactivity of novel binuclear copper(ii) complexes with reduced l-serine Schiff bases as mimic carboxylesterases.

Two novel phenoxo-bridged homobinuclear copper(II) complexes with L-threonine Schiff bases as artificial hydrolases were prepared and screened for catalytic activity in the hydrolysis of p-nitrophenyl picolinate (PNPP), a classic model of carboxylic acid esters. Kinetic analysis testified that the two complexes exhibited good activity with rate acceleration of two orders of magnitude in aqueous solution. In addition, the one copper(II) complex containing 5’-bromo substituent was much more efficient than its bromo-free analogue, showing approximately 1.1∼5.3 times kinetic advantage over a pH range of 7.00–8.20.[Supplementary materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry for Figures 1S–3S.]

Bin Xu

Papers

UV Light-Assisted Synthesis of Highly Efficient Pd-Based Catalyst over NiO for Hydrogenation of o-Chloronitrobenzene

PNPP Cleavage Catalyzed by Schiff Base Mn(III) Complexes Containing Polyether Side Chains in CTAB Micellar Solutions

In Situ Hydrogen Activation Inspiring Efficient One-Pot Hydrogenation of Halogenated Nitrobenzenes over Ni–Co-Based Composites

Structures and esterolytic reactivity of novel binuclear copper(ii) complexes with reduced l-serine Schiff bases as mimic carboxylesterases.

Catalytic Reactivity of Phenoxo-Bridged Homobinuclear Copper(II) Complexes With L-Threonine Schiff Bases As a Carboxylesterase Model