Results 221 to 230 of about 10,077,982 (396)

Quantum‐mechanical condensed matter simulations with CRYSTAL

open access: yes, 2018
R. Dovesi   +10 more
semanticscholar   +1 more source

Rational Fine‐Tuning of MOF Pore Metrics: Enhanced SO2 Capture and Sensing with Optimal Multi‐Site Interactions

open access: yesAdvanced Functional Materials, EarlyView.
A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing   +9 more
wiley   +1 more source

Depression of the Melting Point in Naturally Grown Circular Crystals. [PDF]

open access: yesJACS Au
Jia S   +9 more
europepmc   +1 more source

Pentagonal 2D Altermagnets: Material Screening and Altermagnetic Tunneling Junction Device Application

open access: yesAdvanced Functional Materials, EarlyView.
From a database of 170 pentagonal 2D materials, 4 candidates exhibiting altermagnetic ordering are screened. Furthermore, the spin‐splitting and unconventional boundary states in the pentagonal 2D altermagnetic monolayer MnS2 are investigated. A MnS2‐based altermagnetic tunneling junction is designed and, through ab initio quantum transport simulations,
Jianhua Wang   +8 more
wiley   +1 more source

Crystal structure of cadmium mercury tetrathiocyanate (glycol monomethyl ether), C7H8CdHgN4O2S4

open access: yesZeitschrift für Kristallographie - New Crystal Structures, 2000
Zhou M.   +5 more
doaj   +1 more source

Investigating the timing behavior of compton scattering in BGO for time-of-flight PET. [PDF]

open access: yesPhys Med Biol
Yi M   +7 more
europepmc   +1 more source

Biodegradable and Recyclable Luminescent Mixed‐Matrix‐Membranes, Hydrogels, and Cryogels based on Nanoscale Metal‐Organic Frameworks and Biopolymers

open access: yesAdvanced Functional Materials, EarlyView.
The study presents biodegradable and recyclable mixed‐matrix membranes (MMMs), hydrogels, and cryogels using luminescent nanoscale metal‐organic frameworks (nMOFs) and biopolymers. These bio‐nMOF‐MMMs combine europium‐based nMOFs as probes for the status of the materials with the biopolymers agar and gelatine and present alternatives to conventional ...
Moritz Maxeiner   +4 more
wiley   +1 more source

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