Publications by authors named "Qian Dang"

Hydroxide exchange membrane fuel cells (HEMFCs) have the advantages of using cost-effective materials, but hindered by the sluggish anodic hydrogen oxidation reaction (HOR) kinetics. Here, we report an atomically dispersed Ir on MoC nanoparticles supported on carbon (Ir-MoC/C) as highly active and stable HOR catalysts. The specific exchange current density of Ir-MoC/C is 4.

View Article and Find Full Text PDF

Atomically dispersed nitrogen-coordinated transition-metal sites supported on graphene (TM-N-C) offer promising potential for the electrochemical carbon dioxide reduction reaction (CORR). However, a few TM-N-C single-atom catalysts (SAC) are capable of reducing CO to multielectron products with high activity and selectivity. Herein, using density functional theory calculations, we investigated the electrocatalytic performance of a single TM atom embedded into a defective BCN nanosheet for CORR.

View Article and Find Full Text PDF

Exploring new materials is essential in the field of material science. Especially, searching for optimal materials with utmost atomic utilization, ideal activities and desirable stability for catalytic applications requires smart design of materials' structures. Herein, we report iridium metallene oxide: 1 T phase-iridium dioxide (IrO) by a synthetic strategy combining mechanochemistry and thermal treatment in a strong alkaline medium.

View Article and Find Full Text PDF

The dynamic behavior of electron-hole pairs at the interface of the nanocomposites is important for photoelectrochemical catalysis, but it is difficult to characterize. Here we construct a ternary titanium dioxide/nitrogen-doped carbon dot/gold (TiO/NCD/Au) complex as the model catalyst to investigate the kinetic indexes at their interfaces. Under irradiation (200 mW cm), the photocurrent density of TiO/NCD/Au is 10.

View Article and Find Full Text PDF

The electrocatalytic activity of transition-metal (TM)-based catalysts is correlated with the spin states of metal atoms. However, developing a way to manipulate spin remains a great challenge. Using first-principles calculations, we first report the crucial role of the spin of exposed Mo atoms around an S-vacancy in the electrocatalytic dinitrogen reduction reaction on defective MoS nanosheets and propose a novel strategy for regulating the electronic spin moments by tuning a single-atom promoter (SAP).

View Article and Find Full Text PDF

Developing the low-cost and efficient single-atom catalysts (SACs) for nitrogen reduction reaction (NRR) is of great importance while remains as a great challenge. The catalytic activity, selectivity and durability are all fundamentally related to the elaborate coordination environment of SACs. Using first-principles calculations, we investigated the SACs with single transition metal (TM) atom supported on defective boron carbide nitride nanotubes (BCNTs) as NRR electrocatalysts.

View Article and Find Full Text PDF
Article Synopsis
  • Developing efficient single-atom catalysts (SACs) for nitrogen fixation is crucial yet challenging due to difficulties in controlling the polarization electric field, impacting their performance.
  • First-principles calculations reveal that a transition metal (TM) atom placed between hexagonal boron nitride (h-BN) and graphene (BN/TM/G) serves effectively as a SAC by creating tunable electric fields that enhance catalytic activity for nitrogen reduction reactions (NRR).
  • The study identifies BN/Ti/G and BN/V/G as particularly promising catalysts due to their stability, efficient energy use, and ability to minimize unwanted side reactions like hydrogen evolution.
View Article and Find Full Text PDF

The production of ammonia (NH) from molecular dinitrogen (N) under ambient conditions is of great significance but remains as a great challenge. Using first-principles calculations, we have investigated the potential of using a transition metal (TM) atom embedded on defective MXene nanosheets (TiCO and TiCO with a Ti vacancy) as a single-atom electrocatalyst (SAC) for the nitrogen reduction reaction (NRR). The TiCO nanosheet with Mo and W embedded, and the TiCO nanosheet with Cr, Mo, and W embedded, can significantly promote the NRR while suppressing the competitive hydrogen evolution reaction, with the low limiting potential of -0.

View Article and Find Full Text PDF

The efficient conversion of carbon dioxide (CO) into useful chemicals has important practical significance for environmental protection. Until now, direct fixation of atmospheric CO needs first extraction from the atmosphere, an energy-intensive process. Silicon (or Si-H surface), Earth-abundant, low-cost and non-toxic, is a promising material for heterogeneous CO chemical fixation.

View Article and Find Full Text PDF

Highly efficient electrocatalysis for clean, efficient, and sustainable energy supply, such as hydrogen evolution reaction (HER) and formic acid oxidation reaction (FAOR), has drawn enthusiastic and worldwide attention. Universal and efficient electrocatalysts for these reactions are essential elements for the development of renewable and clean energy technologies. Herein, we show the design and fabrication of the rhodium nanoparticles modified fluorine-doped graphene (Rh/F-graphene) catalyst using silicon nanowires (SiNWs) as the sacrifice template.

View Article and Find Full Text PDF

A simple and sensitive electrogenerated chemiluminescence biosensor was developed to monitor matrix metalloproteinase 2 (MMP-2) by employing a specific peptide (CGPLGVRGK) as a molecular recognition substrate. Bis(2,2'-bipyridine)-4'-methyl-4-carboxybipyridine-ruthenium N-succinimidyl ester-bis(hexafluorophosphate) (Ru(bpy)2(mcbpy-O-Su-ester)(PF6)2 (Ru1) was used as ECL-emitting species and covalently labeled onto the peptide through NH2-containing lysine on the peptide via acylation reaction to form Ru1-peptide as an ECL probe. An ECL peptide-based biosensor was fabricated by self-assembling the ECL probe onto the surface of gold electrode.

View Article and Find Full Text PDF

A novel, sensitive and versatile electrogenerated chemiluminescence biosensing platform is developed for monitoring activity and inhibition of protein kinase based on Ru(bpy)3(2+) functionalized gold nanoparticles (Ru(bpy)3(2+)-AuNPs) mediated signal transduction. Ru(bpy)3(2+)-AuNPs were formed by functionalizing AuNPs with Ru(bpy)3(2+) through electrostatic interactions and were used as thiol-versatile signal probe. Casein kinase II (CK2) and cAMP-dependent protein kinase (PKA), two classical protein kinase implicated in disease, were chosen as model protein kinases while a CK2-specific peptide (CRRRADDSDDDDD) and a PKA-specific peptide (CLRRASLG) were employed as molecular substrate for CK2 and PKA, respectively.

View Article and Find Full Text PDF

The world food system is globalized and interconnected, in which trade plays an increasingly important role in facilitating food availability. We present a novel application of network analysis to domestic food flows within the USA, a country with global importance as a major agricultural producer and trade power. We find normal node degree distributions and Weibull node strength and betweenness centrality distributions.

View Article and Find Full Text PDF