Fu‐Quan Bai
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View article: Heteroatoms-driven coordination field engineering enhances Cu/Fe dual-atom nanozyme bifunctional catalysis
Heteroatoms-driven coordination field engineering enhances Cu/Fe dual-atom nanozyme bifunctional catalysis Open
View article: Space-confined charge transfer turns on multicolor emission in metal-organic frameworks via pressure treatment
Space-confined charge transfer turns on multicolor emission in metal-organic frameworks via pressure treatment Open
Single-component multi-emissive materials with stimuli-responsive properties offer unique advantages in the field of multicolor-tunable photoluminescence (PL). However, precisely modulating the emission of each component and achieving high…
View article: Immediate memory is associated with alexithymia in Chinese Han first-episode, drug-naïve major depressive disorder
Immediate memory is associated with alexithymia in Chinese Han first-episode, drug-naïve major depressive disorder Open
Background Alexithymia is defined as a difficulty in identifying and describing one’s own emotions. It represents a risk factor for cognitive deficits and is frequently observed in individuals with depressive disorders. However, the relati…
View article: Design of Donor‐Acceptor Type 2D Covalent Organic Frameworks as Efficient Photocatalysts for Visible‐Light‐Driven Water Splitting
Design of Donor‐Acceptor Type 2D Covalent Organic Frameworks as Efficient Photocatalysts for Visible‐Light‐Driven Water Splitting Open
Benefitting from the substantially accessible catalytic sites and porous architecture enhancing mass transport, 2D covalent organic frameworks (COFs) show great potential for photocatalytic overall water splitting (OWS). However, the perfo…
View article: Impact of surface patterning on the reactivity of Cu2O (100) under working conditions: Ab initio analysis of CO2 adsorption and activation
Impact of surface patterning on the reactivity of Cu2O (100) under working conditions: Ab initio analysis of CO2 adsorption and activation Open
View article: Pressure treatment enables white-light emission in Zn-IPA MOF via asymmetrical metal-ligand chelate coordination
Pressure treatment enables white-light emission in Zn-IPA MOF via asymmetrical metal-ligand chelate coordination Open
View article: The Precise Definition of Substituent Effect of Fluorinated and Oxidized Sumanene Derivatives on the Stacking Interactions and Charge Transport Properties
The Precise Definition of Substituent Effect of Fluorinated and Oxidized Sumanene Derivatives on the Stacking Interactions and Charge Transport Properties Open
View article: Impact of Surface Patterning on the Reactivity of Cu2o(100) Under Working Conditions: Ab Initio Analysis of Co2 Adsorption and Activation
Impact of Surface Patterning on the Reactivity of Cu2o(100) Under Working Conditions: Ab Initio Analysis of Co2 Adsorption and Activation Open
View article: Fundamental insights into the structural characteristic of dihydrogen-bonded complexes of C<sub>2</sub>H<sub>4−<i>n</i></sub>Cl<sub><i>n</i></sub>⋯MgH<sub>2</sub> (<i>n</i> = 0, 1, 2, 3)
Fundamental insights into the structural characteristic of dihydrogen-bonded complexes of C<sub>2</sub>H<sub>4−<i>n</i></sub>Cl<sub><i>n</i></sub>⋯MgH<sub>2</sub> (<i>n</i> = 0, 1, 2, 3) Open
At the MP2 computational method level, a systematic investigation has been conducted on the dihydrogen-bonded complexes formed by ethylene, its chlorine derivatives, and magnesium hydride.
View article: Surface-Enabled Catalytic Pathways on Cu2o (100) During Operando Nitrate Electroreduction to Ammonia
Surface-Enabled Catalytic Pathways on Cu2o (100) During Operando Nitrate Electroreduction to Ammonia Open
View article: Atomic-Scale Modulation of Cu2o Patterned Surfaces: Elucidating Structure-Dependent Gas Molecule-Surface Interactions for Dual-Functionality in Adsorption and Separation
Atomic-Scale Modulation of Cu2o Patterned Surfaces: Elucidating Structure-Dependent Gas Molecule-Surface Interactions for Dual-Functionality in Adsorption and Separation Open
View article: Green and Selective Oxidation of Benzyl Alcohol to Benzaldehyde Over Transition Metal Ldh Nanosheets: Combining Experiments and Dft Calculations
Green and Selective Oxidation of Benzyl Alcohol to Benzaldehyde Over Transition Metal Ldh Nanosheets: Combining Experiments and Dft Calculations Open
View article: Green and Selective Oxidation of Benzyl Alcohol to Benzaldehyde Over Transition Metal Ldh Nanosheets: Combining Experiments and Dft Calculations
Green and Selective Oxidation of Benzyl Alcohol to Benzaldehyde Over Transition Metal Ldh Nanosheets: Combining Experiments and Dft Calculations Open
View article: Systematic computational research dealing with the effect of molecular size, heteroatom substitution and modification site on electronic properties, absorption and charge transfer ability of fused ring electron acceptors
Systematic computational research dealing with the effect of molecular size, heteroatom substitution and modification site on electronic properties, absorption and charge transfer ability of fused ring electron acceptors Open
ITIC and Y6 are two milestone molecules in the field of organic photovoltaics. The two molecules belong to the family of fused ring electron acceptors (FREAs), which work as a fundamental composition in OSCs. Numerous modification strategi…
View article: Porphyrin photosensitizer molecules as effective medicine candidates for photodynamic therapy: electronic structure information aided design
Porphyrin photosensitizer molecules as effective medicine candidates for photodynamic therapy: electronic structure information aided design Open
Traditional photosensitizers (PS) in photodynamic therapy (PDT) have limited tissue penetrability of light and lacked selectivity for tumor cells, which reduces the efficiency of PDT. Our aim is to effectively screen porphyrin-based PS med…
View article: Density Functional Calculation and Evaluation of the Spectroscopic Properties and Luminescent Material Application Potential of the N-Heterocyclic Platinum(II) Tetracarbene Complexes
Density Functional Calculation and Evaluation of the Spectroscopic Properties and Luminescent Material Application Potential of the N-Heterocyclic Platinum(II) Tetracarbene Complexes Open
A series of reported Pt(II) carbene complexes possibly have the ability to serve as the new generation of blue emitters in luminescent devices because of their narrow emission spectra, high photoluminescence quantum yields (PLQYs), and rig…
View article: Systematically Evaluation of the Cathodic Performance of Crobr with Vacancies and Partial Substitutions on Surface for Metal Batteries
Systematically Evaluation of the Cathodic Performance of Crobr with Vacancies and Partial Substitutions on Surface for Metal Batteries Open
View article: The Joint-Amelioration of Redox Units for Lead-Free Cs3sb2br9 Nanocrystal to Promote Photocatalytic N2 Fixation
The Joint-Amelioration of Redox Units for Lead-Free Cs3sb2br9 Nanocrystal to Promote Photocatalytic N2 Fixation Open
View article: Porphyrin photosensitizer molecules as effective medicine candidates for photodynamic therapy: electronic structure information aided design
Porphyrin photosensitizer molecules as effective medicine candidates for photodynamic therapy: electronic structure information aided design Open
Novel porphyrin photosensitizer molecules, incorporating perylene diimide groups (PDI), were meticulously designed and screened using electronic structure calculations.
View article: Porphyrin Photosensitizer Molecules as Effective Medicine Candidates for Photodynamic Therapy: Electronic Structure Information Aided Design
Porphyrin Photosensitizer Molecules as Effective Medicine Candidates for Photodynamic Therapy: Electronic Structure Information Aided Design Open
View article: Systematically Evaluation of the Cathodic Performance of Crobr with Vacancies and Partial Substitutions on Surface for Metal Batteries
Systematically Evaluation of the Cathodic Performance of Crobr with Vacancies and Partial Substitutions on Surface for Metal Batteries Open
View article: Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5
Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5 Open
CYP 3A4 and CYP 3A5 are two important members of the human cytochrome P450 family. Although their overall structures are similar, the local structures of the active site are different, which directly leads to obvious individual differences…
View article: CCDC 2121372: Experimental Crystal Structure Determination
CCDC 2121372: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Improving CO2 photoconversion with ionic liquid and Co single atoms
Improving CO2 photoconversion with ionic liquid and Co single atoms Open
View article: A Z‐Scheme Heterojunctional Photocatalyst Engineered with Spatially Separated Dual Redox Sites for Selective CO<sub>2</sub> Reduction with Water: Insight by In Situ µs‐Transient Absorption Spectra
A Z‐Scheme Heterojunctional Photocatalyst Engineered with Spatially Separated Dual Redox Sites for Selective CO<sub>2</sub> Reduction with Water: Insight by In Situ µs‐Transient Absorption Spectra Open
Solar‐driven CO 2 reduction by water with a Z‐scheme heterojunction affords an avenue to access energy storage and to alleviate greenhouse gas (GHG) emissions, yet the separation of charge carriers and the integrative regulation of water o…
View article: Computer Aided Rapid Refinement and Evaluation of Porphyrin Photosensitizers as Effective Candidates for Photodynamic Therapy
Computer Aided Rapid Refinement and Evaluation of Porphyrin Photosensitizers as Effective Candidates for Photodynamic Therapy Open
View article: Size Effect of Pbtio3 on its Charge Separation Ability
Size Effect of Pbtio3 on its Charge Separation Ability Open
View article: Size Effect of Pbtio3 on its Charge Separation Ability
Size Effect of Pbtio3 on its Charge Separation Ability Open
View article: Interface Reversible Electric Field Regulated by Amphoteric Charged Protein-Based Coating Toward High-Rate and Robust Zn Anode
Interface Reversible Electric Field Regulated by Amphoteric Charged Protein-Based Coating Toward High-Rate and Robust Zn Anode Open
View article: Cover Picture: Maximized Green Photoluminescence in Tb‐Based Metal–Organic Framework via Pressure‐Treated Engineering (Angew. Chem. Int. Ed. 48/2022)
Cover Picture: Maximized Green Photoluminescence in Tb‐Based Metal–Organic Framework via Pressure‐Treated Engineering (Angew. Chem. Int. Ed. 48/2022) Open
A pressure-treatment strategy for achieving high photoluminescence performance in a green-emitting Tb-based metal–organic framework is reported by Xinyi Yang, Qianrong Fang, Banglin Chen, Bo Zou et al. in their Research Article (e202210836…