Xuejing Liu

Adsorption and dissociation processes of gas molecules on bulk materials and nanomaterials are essential for catalytic conversion of carbon dioxide (CO2). In this work, we systematically investigated the CO2 adsorption and dissociation on low index surfaces of different transition metals by Density Functional Theory (DFT) calculations. A comparison study demonstrates that the open surfaces (Fe(100), Ni(100), Ni(110), Rh(100), and Ir(100)) have stronger interactions with CO2 molecules than the cl

Developing efficient electrocatalysts to realize the nitrate reduction reaction (eNO₃^-RR) for ammonia synthesis as an alternative to the traditional Haber-Bosch production process is of great significance. Herein, the heterostructured Bi₂S₃/MoS₂ nanoarrays were successfully synthesized by Bi₂S₃ nanowires anchored on MoS₂ nanosheets. Owing to the interfacial coupling effect, both particular surface area and ex

In this work, an electrochemiluminescence (ECL) quenching system using multimetal-organic frameworks (MMOFs) was proposed for the sensitive and specific detection of heart-type fatty acid-binding protein (H-FABP), a marker of acute myocardial infarction (AMI). Bimetallic MOFs containing Ru and Mn as metal centers were synthesized via a one-step hydrothermal method, yielding RuMn MOFs as the ECL emitter. The RuMn MOFs not only possessed the strong ECL performance of Ru(bpy)₃<sup>2+</su

ABSTRACT Wrinkles, with regular periodic patterns in soft dielectric membrane, are interesting, since they are induced electrically by applying a voltage. An experimental investigation is presented to study the wrinkling behavior of dielectric elastomer. Steady wrinkles, without the accompany of electrical breakdown were attained. According to the relationship between wrinkling and breakdown, the electromechanical behaviors of DE membrane can be divided into the following types: Type A: breakdow

The development of stable, low-cost, and highly efficient electrocatalysts for the N₂ reduction reaction (NRR) process is challenging but crucial for ammonia production. Herein, we demonstrate the synthesis of pyrite nanoparticles wrapped by graphene oxide (FeS₂@GO) acting as a highly efficient NRR catalyst in a wide pH range. The FeS₂ nanoparticles are uniformly dispersed across the GO nanosheet, thus leading to the fine exposure of active sites, the promotion o

Decarbonylative synthesis of thioethers from thioesters proceeds in the presence of a catalytic amount of [Rh(cod)Cl]₂ (2 mol %). The protocol represents the first Rh-catalyzed decarbonylative thioetherification of thioesters to yield valuable thioethers. Notable features include the absence of phosphine ligands, inorganic bases, and other additives and excellent group tolerance to aryl chlorides and bromides that are problematic using other metals to promote decarbonylation. Gram sca

We report a general and practical palladium-catalyzed intramolecular decarbonylative coupling of thioesters <italic>via</italic> C–S bond cleavage, decarbonylation and C–S bond reformation.

We report conversion of esters to thioesters via selective C-O bond cleavage/weak C-S bond formation under transition-metal-free conditions. The method is notable for a general and practical transition-metal-free system, broad substrate scope and excellent functional group tolerance. The strategy was successfully deployed in late-stage thioesterification, site-selective cross-coupling/thioesterification/decarbonylation and easy-to-handle gram scale thioesterification. Selectivity and computation

NO adsorption and dissociation on subnanometer Pdn (n = 8, 13, 19, 25) clusters were first studied with GGA-DFT. The transition structures of the NO dissociating on the potential-energy surfaces were derived using the climbing image nudged-elastic-band (CI-NEB) method. The preferred NO adsorption positions are bridge sites on Pdn (n = 8, 19) and hollow sites on Pdn (n = 13, 25). The NO adsorption energy values on hollow sites of icosahedron-based Pdn (n = 13, 25) are relatively higher than that