Results 251 to 260 of about 20,207 (328)

First-Principles Calculations for Enhancing the TER Effect through Resonance Band Engineering. [PDF]

ACS Omega
Su J, Li J.
europepmc   +1 more source

Tuning Stability and Optoelectronic Properties of CsSnI3 Via Rare‐Earth Doping

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Sn‐based halide perovskites are promising optoelectronic materials but are limited by poor stability. Thus, rare‐earth elements (RE) doping in CsSnI3 addresses this limitation, significantly enhancing thermodynamic, mechanical, and chemical stability, while simultaneously tuning electronic characteristics and modulating optical responses in the ...
Haowei Wang, Feiyu Zhou, Zhuo Li, Yanghao Luo, Tongtong Li, Yilun Liu, Shengying Yue   +6 more
wiley   +1 more source

Electronic Structure Modulation in Dopant‐Controlled Single‐Atom Graphene Catalysts for Efficient Hydrogen Evolution: A Machine Learning and First‐Principles Study

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
First‐principles DFT calculations and machine learning analysis show that heteroatom doping of graphene (G) significantly enhances the stabilization of transition‐metal single atoms by strengthening metal–support interactions and increasing charge transfer. N‐doped G exhibits higher adsorption energies, lower d‐band centers, and shorter TM–G bonds than
Sajjad Ali, Pir Muhammad Ismail, Muhammad Humayun, Mohamed Bououdina   +3 more
wiley   +1 more source

Robust ultrahigh-Q resonances in tetramer metasurfaces through centroid symmetry protection and area conservation. [PDF]

Light Sci Appl
Zhou C, Jin R, He H, Huang J, Li G, Huang L.   +5 more
europepmc   +1 more source

Unlocking Ammonium‐Ion Storage Capability of MoS2 via Synergistic Molecular Engineering Strategies

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The multiple molecular engineering strategies are simultaneously adopted to endow MoS2 with expanded interlayer distance, abundant active sites and strengthened structural stability. Benefitting from the synergistic effects of phase engineering, doping engineering, and structural engineering strategies, the proposed 1T‐O‐MoS2@HCSs exhibits ...
Kang Zhang, Juan Xie, Luwen Li, Pengcheng Su, Wenhui Chen, Mingkun Wang, Jie Li, Hongwei Tang, Huilong Dong, Yihui Li   +9 more
wiley   +1 more source

Next‐Generation Carbon‐Based Anodes for Alkali Metal‐Ion Batteries: Recent Progress on Biphenylene and Emerging Materials

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Recent advances in carbon‐based anodes for alkali metal‐ion batteries are critically reviewed, with emphasis on biphenylene and other emerging carbon allotropes. Biphenylene exhibits exceptional theoretical electrochemical properties beyond conventional graphite, highlighting its strong potential as a next‐generation anode material once scalable ...
Adewale Hammed Pasanaje, Nirpendra Singh
wiley   +1 more source

Beyond phase boundaries: atomic mechanisms governing structure and property variations in (K, Na)NbO₃-based ferroelectrics. [PDF]

Nat Commun
Lv X, Wang X, Shi X, Kong J, Huang HB, Hu T, Fu Z, Lyu J, Ma Y, Zhang XX, Wu B, Pramanick A, Wu J.   +12 more
europepmc   +1 more source

Generative Models in Inorganic Crystals Discovery and Inverse Design

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Generative inverse‐design samples from the vast inorganic crystal design space by starting from target properties such as band gap, stability, and ion transport. This Review examines the representations, generative models, and validation workflows needed to translate candidate structures into stable, potentially synthesizable materials for applications
Tao Li, Xiaolin Liu, Fei Wang, Yan Xiong, Yu Chen, Yan Zhao   +5 more
wiley   +1 more source

Moiré collapse and Luttinger liquids in twisted anisotropic homobilayers. [PDF]

Proc Natl Acad Sci U S A
de Sousa DJP, Lee S, Guinea F, Low T.
europepmc   +1 more source

Phase-Dependent Functionality and Defect-Induced Magnetism in Monolayer SnTe Polymorphs. [PDF]

ACS Appl Mater Interfaces
Kavkhani R, Akgenc Hanedar B, Onbaşlı MC.   +2 more
europepmc   +1 more source