Asymmetric CoN3P1 Trifunctional Catalyst with Tailored Electronic Structures Enabling Boosted Activities and Corrosion Resistance in an Uninterrupted Seawater Splitting System
Sign Up to like & getrecommendations! 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),… read more here.
Keywords: electronic structures; seawater splitting; asymmetric n3p1; corrosion resistance ... See more keywords
Crystalline Lattice‐Confined Atomic Pt in Metal Carbides to Match Electronic Structures and Hydrogen Evolution Behaviors of Platinum
Sign Up to like & getrecommendations! 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… read more here.
Keywords: confined atomic; electronic structures; lattice confined; hydrogen evolution ... See more keywords
Roles of Localized Electronic Structures Caused by π Degeneracy Due to Highly Symmetric Heavy Atom‐Free Conjugated Molecular Crystals Leading to Efficient Persistent Room‐Temperature Phosphorescence
Sign Up to like & getrecommendations! 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… read more here.
Keywords: electronic structures; triplet; room temperature; phosphorescence ... See more keywords
Relation between Interfacial Band‐Bending and Electronic Properties in Organic Semiconductor Pentacene
Sign Up to like & getrecommendations! 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… read more here.
Keywords: work; electronic structures; band bending; semiconductor ... See more keywords
Interplay Among Thermoelectric Properties, Atmospheric Stability, and Electronic Structures in Solution‐Deposited Thin Films of P(NaX[Niett])
Sign Up to like & getrecommendations! 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… read more here.
Keywords: atmospheric stability; thin films; interplay among; electronic structures ... See more keywords
Manipulating the Geometric and Electronic Structures of Manganese Nitrides for Ammonia Synthesis
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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… read more here.
Keywords: manganese nitrides; electronic structures; geometric electronic; structures manganese ... See more keywords
Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O)
Sign Up to like & getrecommendations! 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… read more here.
Keywords: electronic structures; chemistry; sc3x c80; c80 ... See more keywords
Geometries, electronic structures, and bonding properties of endohedral Group‐14 Zintl clusters TM@E10 (TM = Fe, Co, Ni; E = Ge, Sn, Pb)
Sign Up to like & getrecommendations! 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… read more here.
Keywords: electronic structures; structures bonding; geometries electronic; bonding properties ... See more keywords
Toward Controlling the Electronic Structures of Chemically Modified Superatoms of Gold and Silver.
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DOI: 10.1002/smll.202001439
Abstract: Atomically precise gold/silver clusters protected by organic ligands L, [(Au/Ag)x Ly ]z , have gained increasing interest as building units of functional materials because of their novel photophysical and physicochemical properties. The properties of [(Au/Ag)x… read more here.
Keywords: toward controlling; gold silver; controlling electronic; electronic structures ... See more keywords
Moiré-Pattern Modulated Electronic Structures of GaSe/HOPG Heterostructure.
Sign Up to like & getrecommendations! Published in 2023 at "Small"
DOI: 10.1002/smll.202302192
Abstract: Conventional two-dimensional electron gas (2DEG) typically occurs at the interface of semiconductor heterostructures and noble metal surfaces, but it is scarcely observed in individual 2D semiconductors. In this study, few-layer gallium selenide (GaSe) grown on… read more here.
Keywords: electronic structures; pattern modulated; modulated electronic; moir pattern ... See more keywords
Electronic structures of elements according to ionization energies
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DOI: 10.1007/s00894-017-3534-2
Abstract: The electronic structures of elements in the periodic table were analyzed using available experimental ionization energies. Two new parameters were defined to carry out the study. The first parameter—apparent nuclear charge (ANC)—quantified the overall charge… read more here.
Keywords: electronic structures; ionization energies; charge; structures elements ... See more keywords