Results 241 to 250 of about 46,720 (301)

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Acceptor-driven synergy in dihydropyridine-based compounds reveals giant static and frequency-dependent hyperpolarizabilities: a quantum exploration. [PDF]

RSC Adv
Gull K, Arshad M, Jamal S, Jawaria R, Ullah S, Imran M.   +5 more
europepmc   +1 more source

Covalently Integrated Selenoviologen–N‐Heterocyclic Carbene–Pt Nanoparticles for Visible‐Light‐Driven Hydrogen Evolution

Advanced Science, EarlyView.
A covalently integrated single‐component photocatalyst is constructed by anchoring selenoviologen to platinum nanoparticles via robust N‐heterocyclic carbene ligands. The resulting Pt─C covalent bonds function dually as protective structural scaffolds and direct channels for ultrafast intramolecular electron transfer This precise interfacial ...
Wenxi He, Guoping Li, Chenjing Liu, Yu Liu, Yawen Li, Wenxin Wei, Hairui Lei, Ni Yan, Gang He   +8 more
wiley   +1 more source

Insights into the adsorption performance of temozolomide on T-based 2D nanosheets from DFT and COSMO calculations. [PDF]

Nanoscale Adv
Dostagir MSR, Piya AA, Opi MH, Ashik-E-Elahe M, Shamim SUD.   +4 more
europepmc   +1 more source

Asymmetric Single‐Atom Catalysts Govern Diffusible and Non‐Diffusible Non‐Radical Pathways for Selective Degradation of Antibiotic Resistance Genes

Advanced Science, EarlyView.
Asymmetric single‐atom metal‐nitrogen‐carbon catalysts modulate the non‐radical pathway during peroxymonosulfate (PMS) activation. A fundamental contrast was revealed between diffusible singlet oxygen (1O2) and non‐diffusible electron‐transfer pathways (ETP) in antibiotic resistance gene (ARG) degradation.
Chen Gao, Jun Sun, Liang Zhang, Litao Lin, Zongfeng Wan, Bingcai Pan, Sheng Tang   +6 more
wiley   +1 more source

Synthesis, X-Ray Analysis, Anticancer Activity, Computational, and in Silico Studies of New Thiophene Pyrazole Conjugates. [PDF]

ChemistryOpen
Muhsinah AB, Kheder NA, Elhaty IA, Mabkhot YN.   +3 more
europepmc   +1 more source

Green and Low‐Carbon Synthesis of Lithium Sulfide (Li2S): From Fundamental Mechanisms to Scalable Manufacturing for Next‐Generation Energy Storage

Advanced Science, EarlyView.
This review focuses on green synthesis routes for lithium sulfide (Li2S)—a key material for lithium–sulfur batteries and sulfide solid electrolytes, whose traditional carbothermal reduction remains energy‐intensive and unsustainable. Specifically examined routes include low‐temperature solid‐state reactions, magnesiothermal reduction, and solution ...
Aiping Peng, Xingtao Qi, Lingfeng Zhu, Ningrui Zhan, Yaohui Qu, Hui Li, Hai Zhang, Fan Wang, Ze Zhang, Xuewen Wang, Zhenyu Yang, Tianyi Ma   +11 more
wiley   +1 more source

Jahn-Teller Distortions in Pseudo-Octahedral Low-Spin Ni(III) Complexes With O,O or N,N Bidentate Ligands: A DFT Study. [PDF]

J Comput Chem
Conradie J.
europepmc   +1 more source

Ligand Topology Tunes Energy and Character of Emissive Triplet States in Stannylenes. [PDF]

Inorg Chem
Sikora P, Naumann R, Heinze K, Förster C.   +3 more
europepmc   +1 more source