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Journal of energy chemistry, ISSN 2095-4956, 06/2021, Volume 57, pp. 436 - 442
OO bond formation between O5 and W2 in the non-rearranged oxygen-evolving complex has quite high barriers, and thus structural rearrangement during the... 
Structural rearrangement | O[sbnd]O bond formation | Substrate water | Oxygen-evolving complex | Density functional theory
Journal Article
Journal of materials science & technology, ISSN 1005-0302, 05/2021, Volume 73, pp. 45 - 51
•Al dopants can effectively activate the intrinsic 6b-site Li-ions for a long-range mobility.•Li1+xAlxTi2-xP3O12 has a maximized Li ions conductivity at 0.50... 
Li ionic conductivity | Bond angle variance | Density Functional Theory | Al-dopant | Solid-state-electrolyte
Journal Article
Journal of materials science & technology, ISSN 1005-0302, 05/2021, Volume 72, pp. 93 - 103
High-performance electromagnetic (EM) wave absorbers, covalently bonded reduced graphene oxide-Fe3O4 nanocomposites (rGO-Fe3O4), are synthesized via... 
rGO-Fe3O4 nanocomposites | EM wave absorption | Covalent bond | RCS simulation calculation
Journal Article
Applied catalysis. B, Environmental, ISSN 0926-3373, 04/2021, Volume 283
[Display omitted] •A new Z-scheme composite consisting copper phosphosulfide and C3N4 (Cu3P|S/CN) was formed by interface engineering.•Cu3P|S/CN shows... 
Photocatalysis | Hydrogen evolution reaction | Copper phosphosulfide | Interfacial charge transfer | P[sbnd]N bond
Journal Article
Journal of energy chemistry, ISSN 2095-4956, 03/2021, Volume 54, pp. 815 - 821
The I2M OO bond formation pathway of a Ru-bda (H2bda = 2,2ʹ-bipyridine-6,6ʹ-dicarboxylic acid) type catalyst is determined by not only its generation of... 
Ruthenium | O[sbnd]O bond formation | Water oxidation | Oxygen evolution
Journal Article
Chinese journal of catalysis, ISSN 1872-2067, 03/2021, Volume 42, Issue 3, pp. 460 - 469
A molecular [Ru(bda)]-type (bda = 2,2’-bipyridine-6,6’-dicarboxylate) water oxidation catalyst with 4-vinylpyridine as the axial ligand (Complex 1) was... 
O–O bond formation | Water oxidation catalyst | Dipole moment | Reaction kinetics | Second coordination sphere | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Applied | Chemistry, Physical | Science & Technology
Journal Article
Food hydrocolloids, ISSN 0268-005X, 03/2021, Volume 112, p. 106293
The effects of covalent cross-linking of soy protein isolate (SPI-12%) with tannic acid (TA-29,58,88,117,146 μmol/g SPI) in an alkaline environment on the... 
Tannic acid | Covalent bond | Soy isolated protein | Hydrogels
Journal Article
Separation and purification technology, ISSN 1383-5866, 03/2021, Volume 258
•Tetraethyl ammonium amino acids (TAAAs) were used to separate indole from wash oil.•TAAAs can efficiently separate indole from wash oil via forming hydrogen... 
Separation | Amino acid ionic liquids | Indole | Wash oil | Hydrogen bond
Journal Article
Applied surface science, ISSN 0169-4332, 02/2021, Volume 540
[Display omitted] •The existence of hydrogen bond was verified for injection molded direct joining.•Hydrogen bond was formed between –OH on the aluminum... 
Dissimilar materials joining | Injection molded direct joining | Metal–plastic interface | AFM-IR | Metal–plastic direct joining | Hydrogen bond
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1226
•Synthesis and study of X-ray and dynamic 1H-NMR of novel N,N-dimethyl carbamoyl 5-phenyltetrazoles.•Investigation of rotational barrier about the C-N bonds by... 
Carbamoyl tetrazoles | Quantum mechanical calculations | Barrier to rotation about C-N bond | Dynamic 1H-NMR | X-ray structures
Journal Article
Applied surface science, ISSN 0169-4332, 02/2021, Volume 539
[Display omitted] •The iron surface were irradiated by Ar+ and O+ ions in four modes.•The parameters of the chemical bond and the local atomic structure of the... 
Ion implantation | Local atomic structure | Chemical composition | Chemical bond length | Surface
Journal Article
Fuel (Guildford), ISSN 0016-2361, 02/2021, Volume 286
•Hydrogen bonds between –COOH and aromatic solvents are confirmed and evaluated.•Benzene weakens C–O in –COOH by formation of stronger hydrogen bonds.•Addition... 
Lignite | Hydrogen bonds | ATR-FTIR | Carboxyl groups | Density functional theory | Direct coal liquefaction
Journal Article
Journal of alloys and compounds, ISSN 0925-8388, 02/2021, Volume 854
Inverse spinel SnFe2O4 as an anode material for lithium-ion batteries (LIBs) suffers from poor cycling stability due to its lower conductivity and excess... 
Lithium-ion batteries | Composites | Sn(Fe)–C bond | Reduced graphene oxide | SnFe2O4 | SnFe
Journal Article
Chemical engineering science, ISSN 0009-2509, 02/2021, Volume 230
[Display omitted] •The structural effects on VLE of H2O-IL systems was experimentally investigated.•The UNIFAC-Lei model was well extended for predicting VLE... 
Vapor-liquid equilibrium | Hydrogen bond interaction | Ionic liquids | Structural effect | UNIFAC-Lei model | Quantum chemistry calculation
Journal Article