Results 291 to 300 of about 705,088 (330)

Defect‐Induced Selectivity Modulation Using Copper Triazole Molecular Frameworks for Electrochemical CO2 Reduction

Advanced Functional Materials, EarlyView.
A Cu‐triazole and D‐Cu‐triazole MOF is studied for eCO2RR. After introducing open metal sites and reducing the particle size through a competitive coordination strategy with N,N‐diethylformamide, the defects significantly enhance and alter the catalytic properties with increased selectivity for C2+ products. Abstract Metal–organic frameworks (MOFs) are
Anirudha Shekhawat, Debanjan Das, Ridha Zerdoumi, Muhammad Adib Abdillah Mahbub, Bashir Eid, Shubhadeep Chandra, Sabine Seisel, Wolfgang Schuhmann   +7 more
wiley   +1 more source

Study on Phosphorus Compound/Catechol-Catalyzed Dehydrative Amidation and Its Database Development for Machine Learning. [PDF]

Chemistry
Nagano T, Bagal DB, Kunisada R, Nakajima H, Sano K, Noto N, Saito S.   +6 more
europepmc   +1 more source

Bimetallic Nanoparticles as Cocatalysts for Photocatalytic Hydrogen Production

Advanced Functional Materials, EarlyView.
Recent developments have introduced bimetallic nanoparticles as effective cocatalysts for photocatalytic systems. This review explores the rapidly expanding research on bimetallic cocatalysts for photocatalytic production of hydrogen, emphasizing the creation of carrier‐selective contacts, localized surface plasmon resonance effects, methodologies for ...
Yufen Chen, Asier Agrelo‐Lestón, Ignasi Burgués‐Ceballos, Jordi Llorca, Lluís Soler   +4 more
wiley   +1 more source

AI Approaches to Homogeneous Catalysis with Transition Metal Complexes. [PDF]

ACS Catal
Morán-González L, Burnage AL, Nova A, Balcells D.   +3 more
europepmc   +1 more source

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

Advanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang, Zelin Wu, Yingfang Jiang, Di Zhang, Qiang Wang, Congwei Wang, Huihui Li, Xue Jia, Jun Fan, Hao Li   +9 more
wiley   +1 more source

Multifunctional chiral silanol ligands for enantioselective catalysis. [PDF]

Chem Sci
Chang YP, Blanco-Herrero K, Alturaifi TM, Fettinger JC, Liu P, Franz AK.   +5 more
europepmc   +1 more source

Accelerated Kinetics of Desolvation and Redox Transformation Enabled by MOF Sieving for High‐Loading Mg‐S Battery

Advanced Functional Materials, EarlyView.
A strategy of sieving catalysis based on the MIL‐101(Cr) with multistage pore structure and Lewis acid sites has been proposed as the catalyst to accelerate the kinetics of desolvation and redox conversion of sulfur species, achieving high performance Mg‐S batteries.
Qinghua Guan, Quan Zhuang, Wenlong Xu, Yongzheng Zhang, Shuang Cheng, Jing Zhang, Meinan Liu, Hongzhen Lin, Jian Wang   +8 more
wiley   +1 more source

Breaking Electrochemical Scaling Laws in Atomically Engineered van der Waals Stack Multisite Edge Catalysts. [PDF]

Nano Lett
Chen DR, Muthu J, Chang JT, Lin PH, Chen YX, Khurshid F, Chin HT, Kong J, Hofmann M, Hsieh YP.   +9 more
europepmc   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

Advanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir, Yuhao Wang, Jingwei Li, Yunfeng Tian, Francesco Ciucci   +4 more
wiley   +1 more source