@article { ISI:000243163000068, title = {Oxy-methane reforming over high temperature stable NiCoMgCeOx and NiCoMgOx supported on zirconia-haffnia catalysts: accelerated sulfur deactivation and regeneration}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {561-564}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

NiCoMgOx and NiCoMgCeOx on commercial low surface area zirconia-haffnia catalysts have unusually high thermal stability (\>= 2000 degrees C) for syngas generation via the methane partial oxidation process (J. Catal., 233, 36, 2005). Herein we report the results on accelerated sulfur deactivation (0.74 mol\% sulfur in feed) and corresponding regeneration (at 800 degrees C in 1:1 O-2 + N-2 flow) over these catalysts. The NiCoMgCeOx catalyst, due to a larger mobility of lattice oxygen, showed a considerably higher resistance to sulfur poisoning; the higher mobility of the lattice oxygen in case of the NiCoMgCeOx catalyst may be related to the presence of CeO2. During the deactivation process, the selectivity for H-2 was decreased to a much greater extent than that for CO. Regeneration studies showed that even after complete deactivation of the catalysts, the original activity/selectivity of both the catalysts could be completely restored after a simple regeneration process. Based on their exceptionally high thermal stability, high activity/selectivity and easily regenerability, the NiCoMOx, and NiCoMgCeOx catalysts appear to be very promising candidates for the CPOM process. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Deactivation, high temperature stable, methane, Partial oxidation, Regeneration, Sulfur}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.007}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000263073800056, title = {N,S-Co-doped TiO2 Nanophotocatalyst: synthesis, electronic structure and photocatalysis}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {423-432}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

N,S-co-doped anatase-phase TiO2 (N,S-TiO2) nanophotocatalysts were prepared from either benzothiazoline or aminothiol with titanium isopropoxide followed by a systematic thermal decomposition. The chemical nature of S and N in N,S-TiO2 have been identified by XPS to be sulfate and NO-like, respectively. A significant band broadening and red-shift in the UV-visible absorption spectrum of N,S-TiO2 suggests a band gap reduction compared to TiO2. A maximum band-gap narrowing of 0.22 +/- 0.02 eV was observed on N,S-TiO2. Higher energy width observed on N,S-TiO2 is in contrast to 0.13 eV from N-doped TiO2 indicating the sulfate-like species might play a major role in narrowing the band-gap to a Higher level. It is confirmed that the oxidation of N and S to NO and SO42- occurs in the final stage of preparation of N,S-TiO2, during calcination in air. It is predicted that the oxygen associated with sulfate and NO structural features could be crucial in bringing down the energy gap and red shift in optical absorption and the role of sulfur is to facilitate the above. Photocatalytic decomposition of methylene blue has been carried out on N,S-TiO2 shows higher activity than the commercial TiO2 in the visible region. However, sulfate species seems to enhance the activity of N,S-TiO2 marginally compared to N-TiO2, and possible suggestions are given to improve the same.

}, keywords = {nitrogen, Photocatalyst, Sulfur, TiO2, Visible Light Absorption}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J095}, author = {Sathish, M. and Viswanath, R. P. and Gopinath, Chinnakonda S.} } @article { ISI:000293064700010, title = {Uncatalyzed synthesis of thiomorpholide using polyethylene glycol as green reaction media}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {315-318}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Polyethylene glycol-600 was used as an efficient and recyclable solvent for the one-pot three component condensation reactions of aryl alkyl ketones, sulfur, and morpholine to produce the corresponding thiomorpholide. This protocol has advantages of high yields, short reaction times, mild reaction conditions, minimal environmental pollution, and simple work up procedure. [GRAPHICS] .

}, keywords = {polyethylene glycol-600, Sulfur, thiomorpholide, Willgerodt-Kindler reaction}, issn = {1751-8253}, doi = {10.1080/17518253.2010.486772}, author = {Gawande, Shrikant S. and Bandgar, Babasaheb P. and Kadam, Prasad D. and Sable, Shailesh S.} } @article { ISI:000344791100009, title = {Metallic few-layer flowerlike VS2 nanosheets as field emitters}, journal = {European Journal of Inorganic Chemistry}, number = {31}, year = {2014}, month = {NOV}, pages = {5331-5336}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report first-principles DFT calculations of the single-layer VS2 work function, the experimental synthesis of flower-like few-layer-thick VS2 nanosheets by a simple one-step hydrothermal method, and the investigation of their field emission properties. The turn-on field required to draw emission current densities of 1 and 10 mu A/cm(2) were 4 and 5.01 V/mu m, respectively. The observed turn-on field values are attributed to the high field enhancement factor (ca. 2500), which is due to presence of sharp protrusions in the VS2 nanosheets. Furthermore, the field-emission current stability of the VS2 emitter shows stable behavior over a period of 12 h. Further, DFT calculations show that the work function (f) of the single-layer VS2 emitter is 6.01 eV.

}, keywords = {Density functional calculations, field emission, Layered compounds, Nanostructures, Sulfur, Vanadium}, issn = {1434-1948}, doi = {10.1002/ejic.201402448}, author = {Rout, Chandra Sekhar and Khare, Ruchita T. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Lanzillo, Nicholas A. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article {43817, title = {Nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations}, journal = {Physical chemistry Chemical physics}, volume = {19}, year = {2017}, month = {SEP}, pages = {24179-24187}, type = {Article}, abstract = {

Subsequent to the recent re-definition of hydrogen bonding by the IUPAC committee, there has been a growing search for finding the presence of this ever interesting non-covalent interaction between a hydrogen atom in an X-H group and any other atom in the periodic table. In recent gas phase experiments, it has been observed that hydrogen bonding interactions involving S and Se are of similar strength to those with an O atom. However, there is no clear explanation for the unusual strength of this interaction in the case of hydrogen bond acceptors which are not conventional electronegative atoms. In this work, we have explored the nature of Se hydrogen bonding by studying indole...dimethyl selenide (indmse) and phenol...dimethyl selenide (phdmse) complexes using gas phase IR spectroscopy and quantum chemistry calculations. We have found through various energy decomposition analysis (EDA) methods and natural bond orbital (NBO) calculations that, along with electrostatics and polarization, charge transfer interactions are important to understand Se/S hydrogen bonding and there is a delicate balance between the various interactions that plays the crucial role rather than a single component of the interaction energy. An in-depth understanding of this type of non-covalent interaction has immense significance in biology as amino acids containing S and Se are widely present in proteins and hence hydrogen bonding interactions involving S and Se atoms contribute to the folding of proteins.

}, keywords = {Center-Dot-O, Clusters, Co-Ordination, Complexes, intermolecular interactions, Proteins, Replacement, spectra, Strength, Sulfur}, issn = {1463-9076}, doi = {10.1039/c7cp05265k}, author = {Mishra, Kamal K. and Singh, Santosh K. and Ghosh, Paulami and Ghosh, Debashree and Das, Aloke} }