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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…
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Keywords:
new insight;
chalcogen;
type;
tuning electrical ... See more keywords
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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,…
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Keywords:
status challenges;
chalcogen batteries;
rechargeable chalcogen;
batteries status ... See more keywords
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1
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…
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Keywords:
pdb;
molecules proteins;
chalcogen bonds;
small molecules ... See more keywords
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1
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.…
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Keywords:
quinodimethane tetraesters;
chalcogen;
solid state;
assembly ... See more keywords
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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,…
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Keywords:
deiodinase;
naphthyl based;
halogen bond;
chalcogen ... See more keywords
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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…
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Keywords:
sx2;
f2p sx2;
energy;
chalcogen ... See more keywords
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1
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…
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Keywords:
chalcogen bonding;
series thiourea;
selenourea derivatives;
chalcogen ... See more keywords
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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…
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Keywords:
chalcogen elements;
hse chalcogen;
olivine rich;
chalcogen ... See more keywords
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1
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…
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Keywords:
spiroselenurane;
spectroscopy;
chemistry;
disproportionation ... See more keywords
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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…
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Keywords:
theory;
chevrel phase;
chalcogen;
hydrogen ... See more keywords
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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…
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Keywords:
small molecule;
fill factor;
side;
chalcogen ... See more keywords