Results 171 to 180 of about 51,825 (244)

Construction of Sheet‐on‐Hollow Cube Cu2‐xS/ZnIn2S4 p‐n Heterojunction for Enhanced Visible‐Light‐Driven Photocatalytic Hydrogen Production

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The Cu2–xS/ZnIn2S4 composite photocatalyst is an ultrathin ZnIn2S4 nanosheet in situ grown on the surface of the Cu2–xS hollow cube, forming a unique p‐n junction structure, which exhibits excellent photocatalytic hydrogen production performance under visible light.
Yuan Liu   +7 more
wiley   +1 more source

Strong Nonradiative Recombination Induced by Pronounced Lone‐Pair Electron Expression Following Deprotonation in Aziridinium Lead Iodide Perovskites

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The transition from linear to cyclic organic cations promotes deprotonation and activates VH(N) defects with pronounced lone‐pair electron activity, thereby inducing severe local distortions and highly efficient nonradiative recombination centers. This work unveils a direct structure–defect–performance correlation and proposes design strategies for the
Qingshan Bao   +5 more
wiley   +1 more source

First principles investigation of the ferromagnetism in TM-doped arsenene monolayer (TM = Mn and Fe). [PDF]

open access: yesNanoscale Adv
Tan PM   +5 more
europepmc   +1 more source

Computationally Driven Advances in Cu‐CNT On‐Chip Interconnect Materials: From First Principles to Machine Learning

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A multiscale framework integrating electronic, mechanical, and thermal analysis with machine learning to optimize carbon nanotube interconnects. As the component dimensions in integrated circuits shrink to extreme scales, the complexity of interconnect systems is increasing significantly, necessitating an urgent and comprehensive upgrade of ...
Changhong Zhang   +11 more
wiley   +1 more source

Synthesis of Single‐Crystalline Ni‐Rich Cathodes for Lithium‐Ion Batteries With Superior High‐Voltage Stability by Mo/Nb Dual Doping

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A novel synthesis method of single‐crystalline LiNi0.8Co0.15Al0.05O2 (NCA) is introduced, involving the stripping of grain boundaries from polycrystalline NCA (PC‐NCA) during Mo/Nb co‐doping. Mo doping near the grain surface significantly reduces parasitic interface reactions and inhibits the excessive growth of CEI films, while Nb doping within the ...
Guomeng Xie   +6 more
wiley   +1 more source

Mechanistic Origins of Structural Failure in Deeply‐Lithiated LixMoS2

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Global optimization and ab initio molecular dynamics reveal how Li drives the 2H to 1T′ phase transformation in MoS2 and where the layered framework begins to fracture. Controlled pre‐lithiation stabilizes 1T′ and significantly delays the onset of structural failure, while opening out‐of‐plane Li pathways, offering design rules for robust, high‐rate ...
Gunyoung Heo   +4 more
wiley   +1 more source

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