Results 171 to 180 of about 744,099 (279)

Multiscale Perspectives on Perovskite Instability: From Atomistic Deformation to Device Degradation in Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
Multiscale perspectives on how excess charges in soft lead halide perovskites induce operational instability in photovoltaic devices are presented. Localized carriers formed under thermodynamic non‐equilibrium states modify atomistic interactions and drive lattice distortions, accelerating device degradation.
Joo‐Hong Lee, Donghyeon Lee, Seoyoon Lee, Jin‐Wook Lee, Mansoo Choi, Min‐cheol Kim, Namyoung Ahn   +6 more
wiley   +1 more source

Free radical polymerization of halogen bond-driven deep eutectic monomers and emission enhancement. [PDF]

Chem Sci
Lua MJQ, Le HT, Goto A.
europepmc   +1 more source

The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. [PDF]

Molecules, 2023
Cunha AV, Havenith RWA, van Gog J, De Vleeschouwer F, De Proft F, Herrebout W.   +5 more
europepmc   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Chloride-Selective Transmembrane Channel Formation by <i>Meta</i>-Positioned Halogen Bond Donors. [PDF]

JACS Au
Sharma R, Sarkar S, Chattopadhayay S, Nandaniya K, Ghosh S, Mondal J, Talukdar P.   +6 more
europepmc   +1 more source

Multiscale Design of Anion Exchange Membrane‐Based Seawater Electrolysis for Sustainable Hydrogen Production

Advanced Energy Materials, EarlyView.
Direct seawater electrolysis using anion exchange membranes is emerging as a promising route for sustainable hydrogen production. This review summarizes multiscale design strategies from seawater chemistry and OER–ClER selectivity to catalysts, membranes, MEAs, cells, stacks, and system integration, providing a roadmap toward selective, durable, and ...
Chiho Kim, Geunhee Yuk, Jong‐Hyeok Park, Shin‐woo Myeong, Jun Seok Ha, Won Tae Hong, Jung Kyu Kim, Sung Mook Choi   +7 more
wiley   +1 more source

Carbon halogen bond dissociation energy predictions through automated machine learning pipeline. [PDF]

Sci Rep
Tajammal M, Ilyas D, Shah M, Khan A, Rashid U, Ayub K.   +5 more
europepmc   +1 more source

A Fluorine‐Free, Low Ion Pair Electrolyte for Transition Metal‐Free and Halogen‐Free Sodium Batteries

Advanced Energy Materials, EarlyView.
Fluorine‐containing electrolytes dominate modern rechargeable batteries, yet the fundamental design principles for fluorine‐free systems remain largely unexplored. We demonstrate that fluorine‐free electrolyte chemistry can simultaneously achieve long cycle life, fast charging, and stable interphase formation in sodium‐ion batteries.
Dawei Xia, Pengcheng Li, He Zhou, Xu Feng, Dennis Nordlund, Weibo Huang, Ge Li, Feng Lin   +7 more
wiley   +1 more source

Chemically Circular Poly(Orthoester) Elastomers Synthesized by Halogen-Bond Donor Catalyzed Cationic Ring-Opening Polymerization. [PDF]

Angew Chem Int Ed Engl
Siddiqi Z, Abel BA.
europepmc   +1 more source

Stacking Interactions: A Supramolecular Approach to Upgrade Weak Halogen Bond Donors. [PDF]

Chemistry, 2022
Baykov SV, Ivanov DM, Kasatkina SO, Galmés B, Frontera A, Resnati G, Kukushkin VY.   +6 more
europepmc   +1 more source