Results 241 to 250 of about 1,114,638 (302)

Enhanced configurational sampling methods reveal the importance of molecular stiffness for clustering of oxygenated organic molecules.

Phys Chem Chem Phys
Kähärä J, Franzon L, Ingram S, Myllys N, Kurtén T, Vehkamäki H.   +5 more
europepmc   +1 more source

A multi-resolution systematically improvable quantum embedding scheme for large-scale surface chemistry calculations. [PDF]

Nat Commun
Huang Z, Guo Z, Cao C, Pham HQ, Wen X, Booth GH, Chen J, Lv D.   +7 more
europepmc   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

A novel electrode design using Cu-TCPP MOF-modified MWCNT for efficient electro-organic cross coupling synthesis of biphenyl derivatives in a Urea/Chol-Cl DES system as a green and sustainable electrolyte. [PDF]

Sci Rep
Karamifar S, Behrouz Z, Ahdenov R, Alizadeh S.   +3 more
europepmc   +1 more source

In Situ Constructed Magnetic Core‐Shell Hydrogen‐Bonded Organic Framework‐on‐Metal–Organic Framework Structure: an Efficient Catalyst for Peroxymonosulfate Activation

Advanced Functional Materials, EarlyView.
In this work, a magnetic core‐shell catalyst (HOF‐on‐Fe3O4/ZIF‐67) is successfully synthesized, consisting of a metal–organic framework (ZIF‐67) with magnetic Fe3O4 as the core and a porous hydrogen‐bonded organic framework (HOF) as the shell. The catalyst efficiently activated peroxymonosulfate, resulting in rapid and effective removal of water ...
Yingying Du, Chenhui Ding, Chao Deng, Susanta Banerjee, Seema Agarwal   +4 more
wiley   +1 more source

Pyrazole Ligands in Supramolecular Chemistry: Self-Assembly and Their ApplicationsA Comprehensive Review. [PDF]

ACS Omega
Ullah F, Yu SY, Li JQ, Ullah H.
europepmc   +1 more source

Hydrogel‐Based Photothermal‐Catalytic Membrane for Efficient Cogeneration of Freshwater and Hydrogen in Membrane Distillation System

Advanced Functional Materials, EarlyView.
This work presents an overview of the PTC‐VMD system for water‐hydrogen co‐generation. a) Illustration of the hydrogel‐based PTC membrane and the co‐generation of water and hydrogen. b) Structure of the PTC‐VMD system and the functions of each component layer.
Jiawei Sun, Muhammad Usman Farid, Wenlong Xi, Gang Lu, Min Wei Boey, Sai Kishore Ravi, Patrick H.‐L. Sit, Alicia Kyoungjin An   +7 more
wiley   +1 more source

Recent trends in ionic liquid-mediated synthesis of thiazoles: toward greener methodologies. [PDF]

RSC Adv
Mohurle S, Maiti B.
europepmc   +1 more source

In‐Situ Growth of 2D MOFs as a Molecular Sieving Layer on SnS2 Nanoflakes for Realizing Ultraselective H2S Detection

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
The ultraselective H2S detection of the ZIF‐L/SnS2 heterostructure is demonstrated. The introduction of 2‐dimensional (2D) breathable ZIF‐L results in a substantial increase in H2S selectivity attributable to the molecular sieving effect, which impedes the permeation of gases with large kinetic diameters and high polarity.
Soo Min Lee, Yeong Jae Kim, Seon Ju Park, Woo Seok Cheon, Jaehyun Kim, Gi Baek Nam, Youngeun Kim, Ho Won Jang   +7 more
wiley   +1 more source