Articles with "chalcogen" as a keyword



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New Insight on Tuning Electrical Transport Properties via Chalcogen Doping in n‐type Mg3Sb2‐Based Thermoelectric Materials

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Published in 2018 at "Advanced Energy Materials"

DOI: 10.1002/aenm.201702776

Abstract: n-type Mg3Sb1.5Bi0.5 has recently been discovered to be a promising thermoelectric material, yet the effective n-type dopants are mainly limited to the chalcogens. This may be attributed to the limited chemical insight into the effects… read more here.

Keywords: new insight; chalcogen; type; tuning electrical ... See more keywords
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Rechargeable Al‐Chalcogen Batteries: Status, Challenges, and Perspectives

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Published in 2021 at "Advanced Energy Materials"

DOI: 10.1002/aenm.202100769

Abstract: Aluminum‐ion batteries (AIBs) are considered to be alternatives to meet the increasing demands for energy storage due to their high theoretical capacity, low cost, high safety, and the rich abundance of aluminum. Chalcogen materials (sulfur,… read more here.

Keywords: status challenges; chalcogen batteries; rechargeable chalcogen; batteries status ... See more keywords
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Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study

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Published in 2021 at "ChemBioChem"

DOI: 10.1002/cbic.202100498

Abstract: The importance of selenium‐centered noncovalent chalcogen bonds represented as Se⋅⋅⋅A (A=O/S) has been explored for short directional contacts in small molecules and proteins. In addition, S⋅⋅⋅O centered contacts have been analyzed. Computational analyses involving the… read more here.

Keywords: pdb; molecules proteins; chalcogen bonds; small molecules ... See more keywords
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Solid-State Assembly by Chelating Chalcogen Bonding in Quinodimethane Tetraesters Fused with a Chalcogenadiazole.

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Published in 2022 at "ChemPlusChem"

DOI: 10.1002/cplu.202200075

Abstract: In contrast to p-quinodimethane tetraesters, which undergo facile polymerization due to their diradical character, newly synthesized 1 and 2 consisting of a chalcogenadiazole fused to a p-naphthoquinodimethane tetraester are thermodynamically stable due to butterfly-shaped deformation.… read more here.

Keywords: quinodimethane tetraesters; chalcogen; solid state; assembly ... See more keywords
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The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl‐based mimetics

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Published in 2019 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.25775

Abstract: The effects on the activity of thyroxine (T4) due to the chalcogen replacement in a series of peri‐substituted naphthalenes mimicking the catalytic function of deiodinase enzymes are computationally examined using density functional theory. In particular,… read more here.

Keywords: deiodinase; naphthyl based; halogen bond; chalcogen ... See more keywords
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The chalcogen bond in F2P(S)N⋅⋅⋅SX2, F2PNS⋅⋅⋅SX2, F2PSN⋅⋅⋅SX2 (X = F, Cl, Br, OH, CH3, NH2) complexes

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Published in 2019 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-018-3895-1

Abstract: AbstractAs a kind of intermolecular noncovalent interaction, chalcogen bonding plays a critical role in the fields of chemistry and biology. In this paper, S⋅⋅⋅S chalcogen bonds in three groups of complexes, F2P(S)N⋅⋅⋅SX2, F2PNS⋅⋅⋅SX2, and F2PSN⋅⋅⋅SX2… read more here.

Keywords: sx2; f2p sx2; energy; chalcogen ... See more keywords
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The S ⋅⋅⋅ Hal and Se ⋅⋅⋅ Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives

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Published in 2021 at "Journal of Solid State Chemistry"

DOI: 10.1016/j.jssc.2020.121759

Abstract: Abstract The chalcogen bonding (ChB) in a series of thiourea, selenourea and their derivatives has been investigated in the present paper. Thus, selenourea and dimethylselenourea undergo dimerization and trimerization processes in the presence of various… read more here.

Keywords: chalcogen bonding; series thiourea; selenourea derivatives; chalcogen ... See more keywords
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Fractionation of highly siderophile and chalcogen elements in the lower oceanic crust: Insights from the troctolites of the Alpine-Apennine Jurassic ophiolites

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Published in 2020 at "Lithos"

DOI: 10.1016/j.lithos.2020.105873

Abstract: Abstract The present study aims at investigating the role of reactive porous flow in the fractionation of highly siderophile (HSE: Os, Ir, Ru, Rh, Pt, Pd, Au and Re) and chalcogen (S, Se, Te) elements… read more here.

Keywords: chalcogen elements; hse chalcogen; olivine rich; chalcogen ... See more keywords
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Tetravalent Spiroselenurane Catalysts: Intramolecular Se···N Chalcogen Bond-Driven Catalytic Disproportionation of H2O2 to H2O and O2 and Activation of I2 and NBS.

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Published in 2022 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.2c00651

Abstract: Chalcogen-bonding interactions have recently gained considerable attention in the field of synthetic chemistry, structure, and bonding. Here, three organo-spiroselenuranes, having a Se(IV) center with a strong intramolecular Se···N chalcogen-bonded interaction, have been isolated by the… read more here.

Keywords: spiroselenurane; spectroscopy; chemistry; disproportionation ... See more keywords
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Stabilizing hydrogen adsorption through theory-guided chalcogen substitution in Chevrel-phase Mo6X8 (X=S, Se, Te) electrocatalysts.

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Published in 2020 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.0c07207

Abstract: In this work, we implement a facile microwave-assisted synthesis method to yield three binary Chevrel-Phase chalcogenides (Mo6X8; X=S, Se, Te) and investigate the effect of increasing chalcogen electronegativity on hydrogen evolution catalytic activity. Density functional… read more here.

Keywords: theory; chevrel phase; chalcogen; hydrogen ... See more keywords
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Enhanced Fill Factor through Chalcogen Side-Chain Manipulation in Small-Molecule Photovoltaics

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Published in 2017 at "ACS energy letters"

DOI: 10.1021/acsenergylett.7b00743

Abstract: The fill factor (FF) of organic photovoltaic (OPV) devices has proven difficult to optimize by synthetic modification of the active layer materials. In this contribution, a series of small-molecule donors (SMDs) incorporating chalcogen atoms of… read more here.

Keywords: small molecule; fill factor; side; chalcogen ... See more keywords