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| 1 | Transition-metal doped edge sites in vertically aligned MoS2 catalysts for enhanced hydrogen evolution显示文摘为象氢进化反应那样的电气化学的反应的高度活跃、便宜的催化剂(她的) 为有效精力的发展是关键的变换和存储技术。理论模拟在揭示在材料和他们的催化活动的电子结构之间的关联是有帮助的,并且指导改进催化剂的预言和发展。然而,在精确地设计需要的原子地点的困难在做在试验性、理论的结果之间的直接比较导致挑战。在瞬间 < 潜水艇 class= “ a-plus-plus ” > 2 , 而薹是惰性的,瞬间边被表明了为她活跃。用一条计算基于描述符的途径,我们预言由合并转变金属原子(Fe,公司, Ni,或 Cu ) ,薹地点应该也成为她活跃。垂直地站的、终止边的瞬间 < 潜水艇 class= “ a-plus-plus ” > 2 nanofilms 为验证这些预言提供一个明确的模型系统。转变金属做了瞬间 < 潜水艇 class= “ a-plus-plus ” > 2 nanofilms 表演交换水流密度由的增加至少双重,与理论计算一致。这个工作为由把倡导者合并到特别原子地点改进电气化学的催化剂,并且为使用明确的系统以便理解提升效果的起源开创进一步的机会。 | Haotian Wang Charlie Tsai Desheng Kong Karen Chan Frank Abild-Pedersen Jens K. Norskov Yi Cui | 2015 | Nano Research2015，8，2： | 41 |
| 2 | Inhibition of PCRby components of food samples,microbial diagnostic assays and DNA-extraction solutions显示文摘 | ROSSEN L NORSKOV P HOLMSTROM K | 1992 | Int J Food Microbiol1992，17，1： | 1 |
| 3 | Effective-medium theory of chemical binding: Application to chemisorption显示文摘 | Norskov J K Lang N D | 1980 | Phys Rev B1980，21，： | 1 |
| 4 | Chromatic dispersion in fiber-optic microwave and millimeter -wave links 显示文摘 | GLIESE U NORSKOV S NIELSEN T N | 1996 | IEEE Transactions on Microwave Theory and Techniques1996，44，10： | 1 |
| 5 | Interatomic interactions in the effective-medium theory 显示文摘 | JACOBSEN K W NORSKOV J K PUSKA M J | 1987 | Physical Review B1987，35，： | 1 |
| 6 | Interaction of Pd with steps onalpha- Al2 O3 显示文摘 | Lodziana Z Norskov K J | 2002 | Surface Science2002，518，1： | 1 |
| 7 | Hydrogen and synthesis gas by steam-and CO2 reforming显示文摘 | ROSTRUP-NIELSEN J R SEHESTED J NORSKOV J K | 2002 | Adv Catal2002，47，： | 1 |
| 8 | Effective-medium Theory of Chemical Binding: Application to Chernisorption显示文摘 | Norskov JK Lang ND | 1980 | Phys Rev1980，21，： | 1 |
| 9 | Towards the computational design of solid catalysts 显示文摘 | Norskov J K Bligaard T Rossmeisl J | 2009 | Nature Chem2009，1，1： | 1 |
| 10 | Why gold is the noblest of all the metals显示文摘 | Hammer B Norskov J K | 1995 | Nature1995，376，： | 1 |
| 11 | Why gold is the noblest of all the metals 显示文摘 | Hammer B Norskov J | 1995 | Nature1995，，376： | 1 |
| 12 | Inhibition of PCR by components of food samples, microbial diagnostic assays and DNA-extraction solutions显示文摘 | ROSSEN L NORSKOV P HOLMSTROM K | 1992 | Food Microbiology1992，17，： | 1 |
| 13 | Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals 显示文摘 | Hammer B Hansen L B Norskov J K | 1999 | Phys Rev B1999，59，： | 1 |
| 14 | Covalent Effects in the Effective-medium Theory of Chemical Binding:Hydrogen Heats of Solution in the 3d Metals显示文摘 | | 1982 | Physical Review B1982，26，6： | 1 |
| 15 | The ol igomeric state sets GABA(B) receptor signalling efficacy显示文摘 | Comps-grar L Kniazeff J Norskov Lauritsen L | 2011 | EMBO J2011，30，12： | 1 |
| 16 | Effective-medium Theory of Chemical Binding:Application to Chemisorption显示文摘 | Lang N D | 1980 | Physical Review B1980，21，6： | 1 |
| 17 | Modeling the electro-oxidation of CO and H2 / CO on Pt,Ru,PtRu and Pt3 Sn显示文摘 | Liu P Logadottir A Norskov J K | 2003 | Electrochim Acta2003，48，2526： | 1 |
| 18 | DFT Calculations of unpromoted and promoted MoS2 - based hydrodesulfurization catalysts 显示文摘 | Byskov L S Norskov J K Clausen B S | 1999 | Journal of Catalysis1999，187，1： | 1 |
| 19 | 显示文摘 | BESENBACHER F BRORSON M CLAUSEN B S HELVEG S HINNEMANN B KIBSGAARD J LAURITSEN J MOSES P G NORSKOV J K TOPSOE H | 2008 | Catal Today2008，130，1： | 1 |
| 20 | Effective Medium Theory of Chemical Binding: Application to Chemisorption显示文摘 | Norskov JK Lang ND | 1980 | Phys Rev1980，21，： | 1 |
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