A5033000067- Fullerene Chemistry and Applications
- Graphene research and applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Boron and Carbon Nanomaterials Research
- Advanced Chemical Physics Studies
- Carbon Nanotubes in Composites
- Diamond and Carbon-based Materials Research
- Shape Memory Alloy Transformations
- Synthesis and Properties of Aromatic Compounds
- Magnetic Properties and Applications
- Microstructure and mechanical properties
- Microstructure and Mechanical Properties of Steels
- Electromagnetic Effects on Materials
- Molecular Junctions and Nanostructures
- Magnetic and transport properties of perovskites and related materials
- Crystallography and molecular interactions
- Catalytic Alkyne Reactions
- Electrocatalysts for Energy Conversion
- High Entropy Alloys Studies
- Advancements in Battery Materials
- Cyclopropane Reaction Mechanisms
- Catalytic C–H Functionalization Methods
- Aluminum Alloy Microstructure Properties
- Metal Alloys Wear and Properties
Xi'an Jiaotong University
2016-2025
State Key Laboratory of Electrical Insulation and Power Equipment
2012-2025
Institute of Electrical Engineering
2014-2025
Shenyang Agricultural University
2025
Chuzhou University
2024
Henan University
2013-2024
Sichuan University
2024
Zhengzhou University
2024
Universidad del Noreste
2010-2023
Huaqiao University
2023
Several phosphorescent IrIII ppy-type complexes (ppy = 2-phenylpyridine anion) bearing dimesitylboron (B(Mes)2) units have been designed and some of them newly prepared. By changing the substitution positions with different electronic characters that can manipulate electron-accepting ability attached B(Mes)2 moieties, direction metal-to-ligand charge transfer (MLCT) process for these be either retained or shifted, which provide a new strategy toward color tuning. Through computational...
New phosphorescent iridium(III) cyclometallated complexes bearing thiazole-based ligands (IrTZ1 and IrTZ2) have been developed. The functionalized organic derived by combining the thiazolyl moiety triphenylamino group conferred not only favorable hole-injection/hole-transporting (HI/HT) features but also more balanced charge carrier injection/transporting traits to as-prepared metallophosphors. Owing unique electronic structures afforded ligand, orange light-emitting devices (OLEDs) made...
The crystallographic, magnetic and electronic structures of the ferromagnetic shape memory alloys Ni2XGa (X=Mn, Fe, Co), are systematically investigated by means first–principles calculations within framework density functional theory using VIENNA AB INITIO SOFTWARE PACKAGE. lattice parameters both austenitic martensitic phases in Ni2MnGa have been calculated. formation energies cubic phase estimated, show a destabilization tendency if Mn atom is substituted Fe or Co. From to Ni2CoGa, down...
NO electrochemical reduction (NOER) is a promising route for the removal of pollutant and production ammonia. In this work, by means first-principles computations, we designed series single atom catalysts consisting atomic transition metals anchored onto defective hexagonal boron nitride (h-BN) with vacancies (TM@h-BN). Among all nine candidates, our results revealed that Cu@h-BN Ni@h-BN showed excellent NOER performances relatively low limiting potentials 0.23 0.31 V, respectively, which...
This study used the Social Cognitive Theory and Broaden-and-Build to propose validate a chain mediation model. In total, 417 Chinese college students were studied explore effects of parent–child relationships on their academic performance. addition, we investigated chain-mediating roles gratitude psychological capital. The results showed that (1) relationship significantly positively affected performance students; (2) partially mediated (3) capital parent-child (4) exerted effect between...
Reactions of CH3F have been surveyed systematically at room temperature with 46 different atomic cations using an inductively coupled plasma/selected-ion flow tube tandem mass spectrometer. Rate coefficients and product distributions were measured for the reactions fourth-period ions from K+ to Se+, fifth-period Rb+ Te+ (excluding Tc+), sixth-period Cs+ Bi+. Primary reaction channels observed corresponding F atom transfer, addition, HF elimination, H2 elimination. The early-transition-metal...
The effects of Co addition on the properties Ni8−xMn4Ga4Cox ferromagnetic shape memory alloys are systematically investigated by first-principles calculations. formation energy results indicate that added preferentially occupies Ni sites in Ni2MnGa alloy. total difference between paramagnetic and austenite plays an important role Curie transformation. electronic density states gives rise to magnetic properties.
Metal–metal bonds: Quantum chemical computation combined with statistical mechanics treatment on the endohedral metallofullerene Lu2@C76 reveal an unprecedented single metal–metal bond which hops rapidly among six equivalent configurations, giving rise to a tetrahedral trajectory in Td-symmetric cage (see figure). Detailed facts of importance specialist readers are published as ”Supporting Information”. Such documents peer-reviewed, but not copy-edited or typeset. They made available...
Controlling the distance of addition site carbons is a simple method for controlling NIR PL and UCPL properties SWNTs.
The encapsulations of fullerene C70 by carbon-nanorings are great interest because, unlike the spheroidal C60, several distinct geometrical orientations possible. Additionally, due to experimental difficulties, there is a deal opportunity for computational efforts deeply explore intrinsic nature π–π noncovalent interactions CPP carbon-nanoring⊃fullerene host–guest systems. In this paper, structures and properties complexes formed with nanoring host [n]cycloparaphenylene (n =10, 11, 12)...
The host–guest interactions between C<sub>60</sub> and [<italic>n</italic>]cycloparaphenylene ([<italic>n</italic>]CPP; <italic>n</italic> = 10, 8 9) are in the manner of single-, double- three-potential wells, respectively.
Successful isolation and unambiguous crystallographic assignment of a series higher carbide cluster metallofullerenes present new insights into the molecular structures cluster-cage interactions endohedral metallofullerenes. These species are identified as La2C2@C2(41)-C90, La2C2@D3(85)-C92, La2C2@C1(132)-C94, La2C2@C2(157)-C96, La2C2@C1(175)-C98. This is first report for these cage except D3(85)-C92. Our experimental theoretical results demonstrate that La2C92-106 more inclined to exist...
Electrohydrodynamic printing has gained increasing attentions to fabricate micro/nanoscale patterns in a controlled and cost-effective manner. However, most of the existing studies focus on tiny dried fibres, which limits its applications high-resolution cell printing. Here we investigated feasibility using electrohydrodynamic pattern microscale liquid filaments. Process parameters like stage moving speed substrate resistance were optimised stably print polyvinyl alcohol (PVA) lines with...
Abstract Cell printing has gained extensive attentions for the controlled fabrication of living cellular constructs in vitro. Various cell techniques are now being explored and developed improved viability resolution. Here an electro‐hydrodynamic strategy is with microscale resolution (<100 µm) high (>95%). Unlike existing jetting or explorations, insulating substrate used to replace conventional semiconductive as collecting surface which significantly reduces electrical current...
The present work introduces a novel catalytic strategy to promote the nitrogen reduction reaction (NRR) by employing cooperative Cu-based single-atom alloy (SAA) and oriented external electric fields (OEEFs) as catalysts. field strength (F)-dependent pathways are investigated means of first-principles calculations. Different dipole-induced responses intermediates break original scaling relationships effectively tune not only activity but also product selectivity NRR. When most active Os1Cu...
Cadmium (Cd) is a toxic, non-essential heavy metal, with significant stress to plants such as soybean (Glycine max). High Cd concentration in the soil inhibits various stages of growth, including seed germination, vegetative and reproduction stage. Phosphate, vital macronutrient, has been shown alleviate Cd-induced stress; however, molecular mechanisms remain poorly understood. This study aimed explore interactive effects phosphate on soybeans at physiological, transcriptomic, metabolic...