X-ray photoelectron spectroscopy and first-principles density-functional calculations were used to study the interaction of thiophene, H2S, S2 with Ni2P(001), α-Mo2C(001), polycrystalline MoC. In general, reactivity surfaces increases following sequence MoC < Ni2P(001) α-Mo2C(001). At 300 K, thiophene does not adsorb on contrast, α-Mo2C(001) can dissociate molecule easily. The key establish a catalytic cycle for desulfurization is in removal decomposition products (CxHy fragments S) from...

A comparative study of experimental and theoretical combinatorial high-throughput screening methods for the development novel materials is presented. Both were applied to new anode fuel cell alloy catalysts with improved CO tolerance. Combinatorial electrocatalysis was performed on a 64-element electrode array. Sputter-deposited ternary thin-film electrocatalysts composition PtRuM (M = Co,Ni,W) screened in parallel their methanol oxidation activity, individual geometric specific...

A 64-fold improved efficiency of solar-to-hydrogen conversion (SHC) was achieved via exposing Au nanoparticles (NPs) on the {001} facets anatase TiO2 nanosheets. The SHC follows a surface plasmon resonance-mediated electron injection mechanism, where NPs can not only harvest visible light and convert them to free energetic electrons, but promote by increasing electron–hole pair formation rate driven electromagnetic field formed nearby semiconductor.

Polyurethane foam adhesive (PFA), a product resulting from exothermic chemical polymerization reactions between the diisocyanate functional group and polyol monomers, can form closed cellular structure with high strength stiffness. In current study, effectiveness of PFA in improving ductility well-graded gravelly soil was investigated. Using drained triaxial compression tests on unimproved PFA-improved as basis for comparison, peak residual-state increased significantly (from 1.5 to 7 times...

Oxygen reduction and evolution reactions (ORR OER, respectively) are vital steps for metal–air batteries, which plagued by their sluggish kinetics. It is still a challenge to develop highly effective low-cost non-noble-metal-based electrocatalysts. Herein, simple reliable method was reported synthesize Co2P-assisted Co single-atom (Co–N4 centers) electrocatalyst (Co2P/Co-NC) via evaporative drying pyrolysis processes. The Co2P nanoparticles Co–N4 centers uniformly distributed on the...

Inorganic materials doped with chromium (Cr) ions generate remarkable and adjustable broadband near-infrared (NIR) light, offering promising applications in the fields of imaging night vision technology. However, achieving high efficiency thermal stability these NIR phosphors poses a significant challenge for their practical application. Here, we employ crystal field engineering to modulate characteristics Cr3+-doped Gd3Ga5O12 (GGG). The Gd3MgxGa5–2xGexO12 (GMGG):7.5% Cr3+ (x = 0, 0.05,...

Activating gold: High-resolution photoemission spectroscopy and DFT calculations were used to study the interaction of SO2 with Au/TiC(001) surfaces. Both revealed molecular adsorption on TiC(001) but complete dissociation SO bonds (see picture). cleaves more efficiently than Au/TiO2(110) or Au/MgO(100) decomposes at temperatures as low 150 K.

As one of the foundations existential positive psychology, self-transcendence can bring intrapersonal and interpersonal outcomes, especially in COVID-19 era which people are suffering huge mental stress. Based on Schwartz's theory human basic values, current study combines variable-centered person-centered approaches to examine relationships between adolescents' values health across two regions China. The results generally showed that (1) both self-enhancement conservation were positively...

A red phosphor K₂SiF₆:Mn⁴⁺nanorod is successfully prepared through an efficient one-step method at room temperature for 30 min. Under UV excitation, K₂SiF₆:Mn⁴⁺nanorods show better emission corresponding to the characteristic lines of Mn⁴⁺compared bulk materials.

The destruction of S-containing molecules is a very important issue in the chemical industry and control environmental pollution. desulfurization sulfur dioxide thiophene on molybdenum carbide surfaces, α-Mo2C(001) δ-MoC(001), Mo8C12 nanoparticle was studied with density functional theory. Our study reveals unexpected ligand steric effects. behaves as actively toward SO2 despite high C/Mo ratio C2 groups. In contrast, bonds weakly δ-MoC(001). Spontaneous S−O bond cleavage observed both...

The interaction of atomic hydrogen with the Cu(111) surface was studied by a combined experimental-theoretical approach, using infrared reflection absorption spectroscopy, temperature programmed desorption, and density functional theory (DFT). Adsorption at 160 K is characterized an anti-absorption mode 754 cm−1 broadband in IRRA spectra, related to adsorption on three-fold hollow sites sub-surface sites, appearance sharp vibrational band 1151 high coverage, which also associated surface....

Formic acid (HCOOH) deprotonates on the open surfaces of Cu(110) and Cu(100) when exposed at 300 K. However, this does not occur close-packed surface clean Cu(111). In study, we show that deprotonation formic atomically flat Cu(111) can be induced by pre-adsorbing polymeric clusters low temperatures, then annealing system to break acidic O-H bond HCOOH adsorbed edges clusters. The thermal activation bidentate formate was studied using a combination infrared reflection absorption...

Abstract Here the recognition of a single‐point mutation in oligonucleotides is described by using nanopore measurements. The translocation behavior series mutated DNA strands, hybridized with complementary probe, analyzed via blocking current and unzipping time. Discernment position at single nucleotide level achieved analysis 2D graph bootstrapped data. proposed approach provides useful tool for detection secreted from tumor cells applicable simple label‐free diagnoses as liquid biopsy.

Abstract An approach was presented for synthesis of semiconducting single-walled carbon nanotubes (SWNTs) by sulfur (S) doping with the method graphite arc discharge. Raman spectroscopy, UV-vis-NIR absorption spectroscopy and electronic properties measurements indicated semconducting SWNTs samples. Simulant calculation that S could induce convertion metallic into ones. This strategy may pave a way direct pure SWNTs.

Dual Co 2 P–ZnS/ZnS–C electrocatalytic heterostructures were constructed for synergistic immobilization of polysulfides and promotion the conversion kinetics.

Values have a direct impact on adolescents' mental health. However, its potential mediated mechanism has received little attention. A 1-year longitudinal survey design was used to explore the mediating role of emotion regulation in relationships between self-transcendence (vs. self-enhancement) values and emotional adjustment among adolescents. Participants were 863 senior school students from Shanghai Qingdao, Shandong Province. Data self-enhancement values, loneliness, depression,...

A systematic study of ethylene adsorption over δ-MoC(001), TiC(001), and ZrC(001) surfaces was conducted by means calculations based on periodic density functional theory. The structure electronic properties each carbide pristine surface had a strong influence in the bonding ethylene. It found that metal carbon sites could participate process. As consequence this, very different mechanisms were seen δ-MoC(001) TiC(001). molecule TMC(001) systems showed only minor similarities to type typical...

Filamin A interacting protein 1-like (FILIP1L), which was reported to be consistently absent in ovarian cancer cell lines, has been identified hold therapeutic potential for inhibiting tumor growth, and its COOH-terminal truncation mutant (FILIP1LΔC103) found more potent than the wild-type. The use of polymeric nanoparticles deliver functional gene intraperitoneally holds much promise as an effective therapy cancer. In this study, a recombinant plasmid expressing FILIP1LΔC103...