✦ LIBER ✦

A density functional study of atomic hydrogen adsorption on plutonium layers

✍ Scribed by M.N. Huda; A.K. Ray

Publisher: Elsevier Science
Year: 2004
Tongue: English
Weight: 288 KB
Volume: 352
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2004.06.010

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Unrestricted density functional study on

Unrestricted density functional study on the adsorption of hydrogen molecule on nickel surface

✍ Ryo Ishiwatari; Masanori Tachikawa 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 143 KB

Density Functional Study on Adsorption o

Density Functional Study on Adsorption of NO on AuSe (010) Surface

✍ Xiang-Lan XU; Wen-Kai CHEN; Xia WANG; Bao-Zhen SUN; Yi LI; Chun-Hai LU 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 307 KB

## Abstract NO molecule adsorption on (010) surface of gold selenide (AuSe) has been studied with a periodic slab model by means of the GGA‐PW91 exchange‐correlation functional within the framework of density functional theory (DFT). Four different on‐top adsorption sites Au(1), Au(2), Se(1) and Se

Structural and electronic properties of

Structural and electronic properties of atomic oxygen adsorption on Pt(1 1 1): A density-functional theory study

✍ Qing Pang; Yan Zhang; Jian-Min Zhang; Ke-Wei Xu 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 996 KB

Density functional study of multiple H2

Density functional study of multiple H2 adsorption and activation on a Pd6 cluster

✍ Yanjin Wang; Zexing Cao; Qianer Zhang 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 314 KB

Density functional calculations are used to determine structures and stabilities of Pd 6 and hydride complexes Pd 6 (H) n (n ¼ 2; 4). Calculations show that a triplet state of Pd 6 with an elongated octahedral structure is the ground state and the Pd 6 cluster can activate the second H 2 molecule. B

Adsorption of Pd atoms on γ-Al2O3: a den

Adsorption of Pd atoms on γ-Al2O3: a density functional study of metal–support interactions

✍ Antonio M. Márquez; Javier Fernández Sanz 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 112 KB

Density functional study of atomic elect

Density functional study of atomic electron affinities using a nonlocal exchange and a local correlation functional

✍ N. A. Cordero; J. A. Alonso 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 2 views

We present in this work self-consistent density functional theory DFT calculations on atomic electron affinities performed with nonlocal exchange and a local Coulomb correlation functionals. The exchange functionals are the weighted spin-density Ž . Ž . approximation WSDA symmetrized following the i