Results 91 to 100 of about 8,987 (212)

Electrical Stressing Induced Monolayer Vacancy Island Growth on TiSe2

, 2017
To ensure the practical application of atomically thin transition metal dichalcogenides, it is essential to characterize their structural stability under external stimuli such as electric fields and currents.
Chenggang Tao, Chuanhui Chen, Husong Zheng, Kirk H. Bevan, Lifei Sun, Liying Jiao, Nana Ofori-Opoku, Salvador Valtierra, Shuaishuai Yuan   +8 more
core   +1 more source

Catalysis with Pnictogen, Chalcogen, and Halogen Bonds [PDF]

Angewandte Chemie, 2018
AbstractHalogen‐ and chalcogen‐based σ‐hole interactions have recently received increased interest in non‐covalent organocatalysis. However, the closely related pnictogen bonds have been neglected. In this study, we introduce conceptually simple, neutral, and monodentate pnictogen‐bonding catalysts. Solution and in silico binding studies, together with
Benz, Sebastian, Poblador Bahamonde, Amalia Isabel, Low-Der's, Nicolas Vinh Tri, Matile, Stefan   +3 more
openaire   +4 more sources

First‐Principles Investigation of the Electronic, Phonon, Optical, and Elastic Properties of AgBiTeSe

Advanced Physics Research, EarlyView.
This study presents a first‐principles investigation of the electronic, vibrational, optical, and elastic properties of AgBiTeSe. The results highlight its metallic behavior, dynamic stability, strong optical absorption, and promising thermoelectric potential.
Nilufer Yesmin Tanisa, Munshi H. M. Rahat, Sayed Bony Amin, Md. Karimul Islam   +3 more
wiley   +1 more source

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

Crystals, 2019
The interrelation between noncovalent bonds and physicochemical properties is in the spotlight due to the practical aspects in the field of crystalline material design.
Irina Yushina, Natalya Tarasova, Dmitry Kim, Vladimir Sharutin, Ekaterina Bartashevich   +4 more
doaj   +1 more source

The Structure, Dynamics and Electronic Structure of Liquid Ag-Se Alloys Investigated by Ab Initio Simulation

, 1996
Ab initio molecular-dynamics simulations have been used to investigate the structure, dynamics and electronic properties of the liquid alloy Ag(1-x)Se(x) at 1350 K and at the three compositions x=0.33, 0.42 and 0.65. The calculations are based on density-
A. C. Barnes, A. F. Wells, A. M. Rappe, A. Pasquarello, D. Hohl, D. L. Price, D. R. Hamann, F. Hensel, F. Kirchhoff, F. Kirchhoff, F. Kirchhoff, G. A. de Wijs, G. A. Wiegers, G. B. Bachelet, G. Galli, G. Kresse, G. Kresse, G. P. Kerker, G. P. Srivastava, H. Endo, H. J. Monkhorst, H. Okazaki, I. Stich, I. Stich, J. E. Enderby, J. E. Enderby, J. Fortner, J. Ihm, J. K. Burdett, J. M. Holender, J. M. Holender, J. M. Holender, J. P. Rino, J. Robertson, J.-S. Lin, K. Tamura, L. J. Clarke, L. Kleinman, M. C. Payne, M. Edeling, M. J. Gillan, M. J. Gillan, M. J. Gillan, M. P. Grumbach, M. Schöne, M.-L. Saboungi, N. F. Mott, P. Engel, P. Hohenberg, P. Rahlfs, R. Bellissent, R. Car, R. D. King-Smith, R. J. Cava, R. J. Cava, R. O. Jones, R. W. Schmuzler, S. Hosokawa, S. N. Mostafa, S. Ohno, T. Sakuma, V. M. Glazov, V. M. Glazov, W. Kohn, Y. Akahama, Y. Waseda   +65 more
core   +1 more source

Bis(trifluoromethyl)disulfide and the EtP4 Phosphazene Base—Formation of a Bench‐Stable [EtP4SCF3]+[SCF3]− Salt

Chemistry – A European Journal, EarlyView.
The synthesis of a bench‐stable trifluoromethylthiolate‐substituted phosphazenium salt is reported. Reaction of bis(trifluoromethyl)disulfide with the EtP4 phosphazene base furnishes this salt in quantitative yield. The compound features a unique trifluoromethylthiolate‐iminium motif and allows for functionalization of both trifluoromethylthiolate ...
Lukas Hartmann, Katharina Wels, Natalia Tiessen, Beate Neumann, Jan‐Hendrik Lamm, Hans‐Georg Stammler, Berthold Hoge   +6 more
wiley   +1 more source

2-Fluorobenzyl (Z)-2-(5-chloro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate dimethyl sulfoxide monosolvate

IUCrData
In the title solvate, C16H11ClFN3OS2·C2H6OS, the C=N bond adopts a Z-configuration facilitating the formation of an intramolecular N—H...O hydrogen bond to the carbonyl O atom in an S(6) loop.
Aidan P. McKay, David B. Cordes, Mohd Abdul Fatah Abdul Manan   +2 more
doaj   +1 more source

Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors

Molecules, 2018
Ab initio calculations are employed to assess the relative strengths of various noncovalent bonds. Tetrel, pnicogen, chalcogen, and halogen atoms are represented by third-row atoms Ge, As, Se, and Br, respectively.
Wenbo Dong, Qingzhong Li, Steve Scheiner
doaj   +1 more source

Recent Advances in the Applications of Water‐soluble Resorcinarene‐based Deep Cavitands

ChemistryOpen, 2022
We review here the use of container molecules known as cavitands for performing organic reactions in water. Central to these endeavors are binding forces found in water, and among the strongest of these is the hydrophobic effect.
Dr. Yu‐Jie Zhu, Ming‐Kai Zhao, Prof. Dr. Julius Rebek Jr., Prof. Dr. Yang Yu   +3 more
doaj   +1 more source

Cationic Sulfonium‐Based Tripodal Ligand and Its Rh(I) Complexes

Chemistry – A European Journal, EarlyView.
We report a cationic EP3‐type tripodal ligand based on an aromatic sulfonium cation (E = S+) along with a series of its Rh(I) complexes. Structural, spectroscopic, electrochemical, and computational analyses of these complexes compared to isostructural analogs (E = Si− or P) reveal pronounced electron density depletion at Rh in the sulfonium congener ...
Nitsan Barel, Shrouq Mujahed, Kamal Uddin Ansari, Katarzyna Młodzikowska‐Pieńko, Renana Gershoni‐Poranne, Yuri Tulchinsky   +5 more
wiley   +1 more source