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Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202422594
Abstract: As the demand for cleaner energy becomes a paramount objective of sustainable development, the advancement of cutting‐edge engineered materials for a wide range of applications becomes increasingly vital. Tailoring catalyst properties through precise design and…
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Keywords:
electronic structures;
zinc active;
synergistic effects;
ruthenium zinc ... See more keywords
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Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202204021
Abstract: Employing seawater splitting systems to generate hydrogen can be economically advantageous but still remains challenging, particularly for designing efficient and high Cl−‐corrosion resistant trifunctional catalysts toward the oxygen reduction reaction (ORR), oxygen evolution reaction (OER),…
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Keywords:
electronic structures;
seawater splitting;
asymmetric n3p1;
corrosion resistance ... See more keywords
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Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202206368
Abstract: Platinum‐based catalysts occupy a pivotal position in diverse catalytic applications in hydrogen chemistry and electrochemistry, for instance, the hydrogen evolution reactions (HER). While adsorbed Pt atoms on supports often cause severe mismatching on electronic structures…
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Keywords:
confined atomic;
electronic structures;
lattice confined;
hydrogen evolution ... See more keywords
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Published in 2025 at "Advanced Materials Interfaces"
DOI: 10.1002/admi.202500570
Abstract: 2D semiconducting nanosheets have emerged as versatile platforms for electronics and energy conversion due to their diverse compositions and excellent physicochemical properties. A precise understanding of their electronic structures is essential for optimizing career transport…
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Keywords:
spectroscopy;
nitrogen doping;
photoelectron spectroscopy;
electronic structures ... See more keywords
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Published in 2019 at "Advanced Science"
DOI: 10.1002/advs.201900410
Abstract: Abstract Conjugated molecular crystals with persistent room‐temperature phosphorescence (RTP) are promising materials for sensing, security, and bioimaging applications. However, the electronic structures that lead to efficient persistent RTP are still unclear. Here, the electronic structures…
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Keywords:
electronic structures;
triplet;
room temperature;
phosphorescence ... See more keywords
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Published in 2017 at "Advanced electronic materials"
DOI: 10.1002/aelm.201700136
Abstract: There is still a challenge in organic electronics to effectively tailor interfacial electronic structures for achieving desired electronic properties for optoelectronic devices. This study realizes the tuning of interfacial electronic structures in organic semiconductor pentacene…
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Keywords:
work;
electronic structures;
band bending;
semiconductor ... See more keywords
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Published in 2020 at "Advanced Electronic Materials"
DOI: 10.1002/aelm.201901172
Abstract: Recent progress in organic thermoelectric generators has resulted in high performance through chemical control of the redox levels of organic semiconductors, but the scarcity of good candidates for soluble organic n‐type materials limits the use…
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Keywords:
atmospheric stability;
thin films;
interplay among;
electronic structures ... See more keywords
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Published in 2020 at "ChemCatChem"
DOI: 10.1002/cctc.201902383
Abstract: Manganese (Mn) nitrides are important nitrogen (N) carriers for small‐scale intermittent ammonia (NH3) synthesis. However, only 3∼8 % of lattice N are converted into NH3. In this study, the geometric and electronic structures of well‐defined Mn4N…
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Keywords:
manganese nitrides;
electronic structures;
geometric electronic;
structures manganese ... See more keywords
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Published in 2025 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.202400643
Abstract: Thiolate‐bridged diiron complexes have drawn extensive attention due to their wide applications in the biomimetic simulation for the structure and function of various metalloenzymes and the related bioinspired catalysis. Through the introduction of the functional…
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Keywords:
thiolate bridged;
bridged diiron;
thiolate;
electronic structures ... See more keywords
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1
Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26049
Abstract: The thermodynamic and dynamic stabilities of Sc3X@C80 (X = C, N, and O) are explored via density functional theory combined with statistical thermodynamic analysis and ab initio molecular dynamics. It is the first time to…
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Keywords:
electronic structures;
chemistry;
sc3x c80;
c80 ... See more keywords
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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26838
Abstract: The geometries, electronic structures, and bonding properties of the title endohedral Zintl clusters have been studied by using ab initio calculations. [Fe@Ge10]4− and [Co@Ge10]3− have D5h‐symmetric pentagonal prismatic structure and [Fe@Sn10]4− adopts the C2v‐symmetric structure…
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Keywords:
electronic structures;
structures bonding;
geometries electronic;
bonding properties ... See more keywords