Results 41 to 50 of about 8,344 (184)

Unraveling Synergistic Regulation Mechanism in Nitrogen/Sulfur Co‐Doped Biomass‐Derived Hard Carbon Toward Durable Sodium‐Ion Battery Anodes

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Nitrogen/sulfur co‐doping optimizes the electron and spatial structure of biomass‐derived hard carbon, and the anode demonstrates superior long‐term cycling stability over 2000 cycles, validating an improved “adsorption‐intercalation‐pore filling” mechanism.
Qian Long, Fangyuan Zhang, Jiayu Qu, Songtao Li, Renfei Cheng, Yaning Zhao, Di Guo, Zhengwang Zhu, Haifeng Zhang   +8 more
wiley   +1 more source

Computational Analysis of Benzenoid Systems Using Valency-Based Entropy Metrics and Topological Indices

Complexity
Nanomaterials find application in electronics, drugs, and biology among other disciplines. Benzenoid systems with their homogeneous structures are especially fit for computer study because of their predictable geometries.
Muhammad Kamran, Muhammad Nadeem, Manal E. M. Abdulla, Ismail Naci Cangul, Nurullayev Mirolim Nosirovich   +4 more
doaj   +1 more source

Structure, Stability, Edge States and Aromaticity of Graphene Ribbons

, 2008
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.
A. Marco Saitta, Ari P. Seitsonen, E. Clar, E. Clar, Francesco Mauri, M. W. Chase, Jr., Michele Lazzeri, Tobias Wassmann   +7 more
core   +3 more sources

Synthesis and Characterization of Juglone‐Derived cu (II), Mn (II) and Zn (II) Complexes and Investigation of Their Cytotoxic Activities Against Lung and Colon Cancer Cells in Vitro and in Silico

Journal of Applied Toxicology, EarlyView.
ABSTRACT Three new Zn (II), Cu (II) and Mn (II) complexes have been synthesized from 5‐hydroxy‐1,4‐naphthoquinone (HNQ). Elemental analysis, magnetic susceptibility, UV–Vis, IR and Mass spectrometry have all been used to explore the structural characterization of these compounds.
Mustafa Öztatlıcı, Turan Birimoğlu, Semih Güler, Rukiye Betül Çolaksel, Mehmet Tahir Husunet, Mehmet Sönmez   +5 more
wiley   +1 more source

Crucial role of decoherence for electronic transport in molecular wires: Polyaniline as a case study

, 2010
In this work we attempt to elucidate the nature of conductivity in polymers by taking the acid-base doped polyaniline (PAni) polymer. We evaluate the PAni conductance by using realistic ab initio parameters and including decoherent processes within the ...
Bustos-Marún, Raúl A., Cattena, Carlos J., Pastawski, Horacio M.   +2 more
core   +1 more source

Salt‐induced nutritional and metabolic shifts in halophytes: implications for food security

Journal of the Science of Food and Agriculture, EarlyView.
Abstract Plant species vary in their response to salinity: some crops show a degree of salt tolerance, while halophytes – whether wild or cultivated – are characterized by a high capacity to thrive under saline conditions. Halophytes are considered a source of valuable secondary metabolites with potential economic value, yet they might also produce ...
Giulia Atzori, Pedro Garcia Caparros, Antonella Castagna, Luisa Custódio, Valentina Lazazzara, Claus Krogh Madsen, Felicia Menicucci, Maria João Rodrigues, Katalin Solymosi, Jose Ramon Acosta Motos   +9 more
wiley   +1 more source

Effect of Mono- and Poly-CH/P Exchange(s) on the Aromaticity of the Tropylium Ion

Molecules, 2016
In view of the fact that the phosphorus atom in its low co-ordination state (coordination numbers 1 and 2) has been termed as the carbon copy, there have been attempts to investigate, theoretically as well as experimentally, the effect of the exchange(s)
Ankita Puri, Raakhi Gupta
doaj   +1 more source

Generalist‐pollinated Arabis alpina exhibits floral scent variation at multiple scales

Nordic Journal of Botany, EarlyView.
Plants that depend on animals for reproduction often use complex floral traits to attract pollinators. Floral scent is recognized as part of the pollinator attraction module and can be shaped by plant‐pollinator interactions. In recent decades, research has started to reveal the dynamic properties of floral scent, identifying patterns of spatial and ...
Hanna Thosteman, Katherine Eisen, Clara McNaughton Montgomery, Xuefei Cheng, Loretta Pace, Magne Friberg   +5 more
wiley   +1 more source

Charge-Transfer Probes for Molecular Recognition \u3cem\u3evia\u3c/em\u3e Steric Hindrance in Donor-Acceptor Pairs [PDF]

, 1997
Molecular association of various aromatic hydrocarbons (D, including sterically hindered donors) with a representative group of diverse acceptors (A = quinone, trinitrobenzene, tetracyanoethylene, tropylium, tetranitromethane, and nitrosonium) is ...
Kochi, Jay K., Lindeman, Sergey V., Rathore, Rajendra   +2 more
core   +1 more source

Structure-Sensitive Mechanism of Nanographene Failure

, 2010
The response of a nanographene sheet to external stresses is considered in terms of a mechanochemical reaction. The quantum chemical realization of the approach is based on a coordinate-of-reaction concept for the purpose of introducing a mechanochemical
A. Chuvilin, A. Hemmasizadeh, A. Sakhaee-Pour, A. Tobolski, C. Jin, C. Lee, C. Li, E. A. Nikitina, E. A. Nikitina, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, F. Liu, G. Lier Van, H. Bu, J.-L. Tsai, K. Hashemnia, K. Kudin, L. H. Shaymardanova, M. J. S. Dewar, M. M. Shokrieh, M. Topsakal, N. A. Popova, P. Pulay, V. A. Popova, V. A. Zayets, V. D. Khavryutchenko, V. Khavryutchenko, X. Wei, Y. Gao, Y. Guo   +31 more
core   +1 more source