Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Environmental changes and their effects on carbon isotope distribution in Lake Plateliai over the past 130 years: insights from sediment organic fractions and diatom assemblages. [PDF]
Barisevičiūtė R +9 more
europepmc +1 more source
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won +3 more
wiley +1 more source
Unravelling depth-dependent pedoclimatic controls on measurable soil organic carbon fractions across climatic gradients in Australian agricultural soils. [PDF]
Jing H +5 more
europepmc +1 more source
Infrared Nanocrystals for Space Application: Hardness to Irradiations
This article investigates infrared HgTe nanocrystals under X‐ray and ion irradiation, revealing remarkable radiation hardness. It uncovers distinct degradation mechanisms and shows that the nanomaterial outperforms integrated electronics. The results position colloidal nanocrystals as promising candidates for resilient space and harsh‐environment ...
Alexandre Neyret +22 more
wiley +1 more source
Impact of forest degradation on soil properties in the Peruvian Amazon. [PDF]
Vallejos-Torres G +14 more
europepmc +1 more source
The catalytic valorization of biomass represents an essential approach for achieving sustainable chemical production, with formic acid (FA) being recognized as a valuable platform chemical for hydrogen storage and environmentally friendly synthetic applications.
Yiqi Geng +6 more
wiley +1 more source
Species mixing promotes plant biomass accumulation and nutrient cycling in forest plantations. [PDF]
Zhang H +6 more
europepmc +1 more source
A novel approach for the design of functional semiconductors is presented, which utilizes the excellent optoelectronic properties of layered hybrid perovskites and the possibility to introduce a molecular photoswitch as the organic spacer. This concept is successfully demonstrated on a coumarin‐based system with the possibility to change the bandgap ...
Oliver Treske +4 more
wiley +1 more source
Differential Accumulation Dynamics of Organic Matter in the Central and Eastern Bohai Bay Basin (Eastern China): Implications for Tectonic Activity. [PDF]
Li Y +10 more
europepmc +1 more source

