01 Nov 08:37
by Xiaodong Pi (皮孝东) and Christophe Delerue
Author(s): Xiaodong Pi (皮孝东) and Christophe Delerue
We present tight-binding calculations in the random-phase approximation of the optical response of Silicon nanocrystals (Si NCs) ideally doped with large concentrations of phosphorus (P) atoms. A collective response of P-induced electrons is demonstrated, leading to localized surface plasmon resonan...
[Phys. Rev. Lett. 111, 177402] Published Fri Oct 25, 2013
01 Nov 08:05
by Qipeng Lu, Zhenda Lu, Yunzhang Lu, Longfeng Lv, Yu Ning, Hongxia Yu, Yanbing Hou and Yadong Yin
Nano Letters
DOI: 10.1021/nl403430x
14 Oct 08:33
by Alexis Grimaud
Article
New catalysts for the oxygen evolution reaction in basic solution are important for energy storage applications. Here, the authors report the high activity and stability of double perovskites in this role, and their performance is attributed to the proximity of the oxygen p -band to the Fermi level.
Nature Communications doi: 10.1038/ncomms3439
Authors: Alexis Grimaud, Kevin J. May, Christopher E. Carlton, Yueh-Lin Lee, Marcel Risch, Wesley T. Hong, Jigang Zhou, Yang Shao-Horn
09 Oct 12:56
by M. R. D. Bomio, R. L. Tranquilin, F. V. Motta, C. A. Paskocimas, R. M. Nascimento, L. Gracia, J. Andres and E. Longo
The Journal of Physical Chemistry C
DOI: 10.1021/jp407416h
13 Sep 02:08
by Sammy W. Verbruggen, Maarten Keulemans, Johan A. Martens and Silvia Lenaerts
The Journal of Physical Chemistry C
DOI: 10.1021/jp4070856
31 Aug 09:16
Chem. Commun., 2013, 49,9609-9611
DOI: 10.1039/C3CC45598J, Communication
Ding Wei, Zhengguo Lin, Zhentao Cui, Shuangyue Su, Dingkun Zhang, Minhua Cao, Changwen Hu
A facile two-step hydrothermal-calcining method is developed to synthesize porous [gamma]-In2Se3 tetragons, which exhibit enhanced visible-light photocatalytic activity for water splitting.
The content of this RSS Feed (c) The Royal Society of Chemistry
31 Aug 09:15
Chem. Commun., 2013, 49,9788-9790
DOI: 10.1039/C3CC45795H, Communication
Liang-Liang Feng, Xiaoxin Zou, Jun Zhao, Li-Jing Zhou, De-Jun Wang, Xiao Zhang, Guo-Dong Li
A synthetic route to prepare nanoporous Sr-rich strontium titanate with a high surface area and superior photocatalytic activity is reported.
The content of this RSS Feed (c) The Royal Society of Chemistry
16 Aug 13:40
Chem. Commun., 2013, 49,10367-10369
DOI: 10.1039/C3CC45193C, Communication
Dawei Wang, Yi Li, Gianluca Li Puma, Chao Wang, Peifang Wang, Wenlong Zhang, Qing Wang
Ag/AgCl@chiral TiO2 nanofibers are synthesized to tune the angle of the incident visible light through the chiral structure of the TiO2 nanofibers, intensifying the surface plasmon resonance effect of the supported Ag/AgCl materials, which are proven to be a highly active and stable visible light photocatalyst for the degradation of 17-[small beta]-ethinylestradiol.
The content of this RSS Feed (c) The Royal Society of Chemistry
16 Aug 13:29
Chem. Commun., 2013, 49,8404-8406
DOI: 10.1039/C3CC44151B, Communication
Kazuhiko Maeda
Rutile titania powder, less sensitive to photoreduction of oxygen, photocatalyses splitting of pure water into hydrogen and oxygen under band-gap irradiation.
The content of this RSS Feed (c) The Royal Society of Chemistry
06 Aug 06:34
by Fatwa F. Abdi, Tom J. Savenije, Matthias M. May, Bernard Dam and Roel van de Krol
The Journal of Physical Chemistry Letters
DOI: 10.1021/jz4013257
02 Aug 13:10
Yoyo Hinuma, Fumiyasu Oba, Yoshitaro Nose, and Isao Tanaka
The valence band offsets of chalcopyrite ZnSnP (ZSP), CdSnP (CSP), CuInSe (CIS), and CuGaSe (CGS) against zincblende CdS and ZnS are obtained using first-principles calculations based on hybrid density functional theory. The ZSP-CSP (ZCSP) alloy is isostructural to the CIS-CGS (CIGS) alloy and is kn ... [J. Appl. Phys. 114, 043718 (2013)] published Wed Jul 31, 2013.
02 Aug 12:56
by Amine Mezni, Imen Balti, Adnen Mlayah, Noureddine Jouini and Leila Samia Smiri
The Journal of Physical Chemistry C
DOI: 10.1021/jp4040826
02 Aug 12:51
by Anna A. Lyamkina and Sergey P. Moshchenko
The Journal of Physical Chemistry C
DOI: 10.1021/jp403924m
02 Aug 12:50
by Alexander O. Govorov, Hui Zhang and Yurii K. Gun’ko
The Journal of Physical Chemistry C
DOI: 10.1021/jp405430m
02 Aug 12:44
by Chenbiao Xu, Wenshao Yang, Qing Guo, Dongxu Dai, Timothy K. Minton and Xueming Yang
The Journal of Physical Chemistry Letters
DOI: 10.1021/jz401349q
02 Aug 12:41
Chem. Commun., 2013, 49,8486-8488
DOI: 10.1039/C3CC43298J, Communication
Wei-Ta Chen, Yin-Kai Lin, Ting-Ting Yang, Ying-Chih Pu, Yung-Jung Hsu
Incorporating Au/ZnS nanocrystals into the traditional Pt-catalyzed half-cell reaction led to a 43.3% increase in methanol oxidation current under light illumination, demonstrating their promising potential as the anode photocatalyst in direct methanol fuel cells.
The content of this RSS Feed (c) The Royal Society of Chemistry
02 Aug 12:39
Chem. Commun., 2013, 49,7830-7832
DOI: 10.1039/C3CC42487A, Communication
Jianqiang Wang, Shuangyue Su, Bing Liu, Minhua Cao, Changwen Hu
A facile method is developed to synthesize self-doped NaTaO3 nanoclusters, which exhibit enhanced visible-light photocatalytic activity for water splitting.
The content of this RSS Feed (c) The Royal Society of Chemistry
02 Aug 12:31
by John E. Coulter, Efstratios Manousakis, and Adam Gali
Author(s): John E. Coulter, Efstratios Manousakis, and Adam Gali
During the past decade, ab initio methods to calculate the electronic structure of materials based on hybrid functionals have increasingly become widely popular. Here we show that, in the case of small gap transition metal oxides, such as VO2, with rather subtle physics in the vicinity of the Fermi ...
[Phys. Rev. B 88, 041107] Published Wed Jul 24, 2013
02 Aug 12:30
by Junhyeok Bang, Y. Y. Sun, Tesfaye A. Abtew, Amit Samanta, Peihong Zhang, and S. B. Zhang
Author(s): Junhyeok Bang, Y. Y. Sun, Tesfaye A. Abtew, Amit Samanta, Peihong Zhang, and S. B. Zhang
We identify an important issue in defect studies using hybrid functionals. When modeling a defect, which is supposedly an isolated system, with a finite-size supercell, the inclusion of a fraction of the Hartree-Fock interaction results in a strong cell-size dependence and an extremely slow converge...
[Phys. Rev. B 88, 035134] Published Thu Jul 25, 2013
28 Jul 10:27
by Nobuko Naka, Katsuyuki Fukai, Yushi Handa, and Ikuko Akimoto
Author(s): Nobuko Naka, Katsuyuki Fukai, Yushi Handa, and Ikuko Akimoto
We have determined effective mass parameters for ultrapure diamond by time-resolved cyclotron resonance of optically excited carriers. The transverse and longitudinal electron masses are found to be mt/m0=0.280(2) and ml/m0=1.56(2), where m0 is the free-electron mass. The Luttinger parameters are ex...
[Phys. Rev. B 88, 035205] Published Fri Jul 26, 2013
28 Jul 10:15
by Tian Ming, Jin Suntivich, Kevin J. May, Kelsey A. Stoerzinger, Dong Ha Kim and Yang Shao-Horn
The Journal of Physical Chemistry C
DOI: 10.1021/jp404148d
28 Jul 10:04
by Anthony S. Stender, Xingzhan Wei, Ashley E. Augspurger and Ning Fang
The Journal of Physical Chemistry C
DOI: 10.1021/jp406064h
28 Jul 09:32
by Yugang Sun, Jonathan J. Foley, Sheng Peng, Zheng Li and Stephen K. Gray
Nano Letters
DOI: 10.1021/nl402361b
23 Jul 01:16
by Maj Frederiksen, Vladimir E. Bochenkov, Michael B. Cortie and Duncan S. Sutherland
The Journal of Physical Chemistry C
DOI: 10.1021/jp402613u
23 Jul 00:48
by Andrew M. Ritzmann, Ana B. Muñoz-García, Michele Pavone, John A. Keith and Emily A. Carter
Chemistry of Materials
DOI: 10.1021/cm401052w
23 Jul 00:47
by Houlong L. Zhuang and Richard G. Hennig
Chemistry of Materials
DOI: 10.1021/cm401661x
23 Jul 00:42
by F. Cossu, U. Schwingenschlögl, and V. Eyert
Author(s): F. Cossu, U. Schwingenschlögl, and V. Eyert
We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid functional to determine the electronic structure. This appr...
[Phys. Rev. B 88, 045119] Published Wed Jul 17, 2013
23 Jul 00:23
Annu. Rep. Prog. Chem., Sect. A: Inorg. Chem.
, 2013, 109,421-435
DOI: 10.1039/C3IC90023A, Review Article
Elaine Ann Moore
The content of this RSS Feed (c) The Royal Society of Chemistry
23 Jul 00:19
Chem. Soc. Rev., 2013, 42,8304-8338
DOI: 10.1039/C3CS60054H, Review Article
Guanying Chen, Jangwon Seo, Chunhui Yang, Paras N. Prasad
Nanochemistry and nanomaterials provide numerous opportunities for new generation photovoltaics with high solar energy conversion efficiencies at low fabrication cost.
The content of this RSS Feed (c) The Royal Society of Chemistry
23 Jul 00:15
by Yandong Ma, Ying Dai and Baibiao Huang
The Journal of Physical Chemistry Letters
DOI: 10.1021/jz401099j
