| Corresponeq训顺山e fplda山ance n eeoeeogeneous ca血ysls几e asorptlon on sd耽比,as a key tp m hetergcheous c成dysls,h田 Shown q光nslve pro叩eCt n its devel的m日方．】叱 W co血o方毗付us PaPPaPer Is he researcd劝out山 Msorption Icllletlc血皿阶er of闲山on,·oXygen,sul讪 and 伍elr diatomlc comPmPounds on transiticn幻 m威d NI and Pd,su山 as nugration, combination dissociation and so on．he study has provided he necessare coniilonfor a灿尬0 research劝o皿 po蜘nnc molecule's adso邮ion b幼班for on med s叫让既．Indditlon,a new m毗cd is p皿 forwar to deal iooC po比成id CllCTgy Oftriatoin1C ffiOICClllC,SllCh s C02,pd gOOd 砌既mo方地sheen obtained． me main劝肌删陆 and com刀buion of讪s paper can be describd as following: l．In thC TCSCgrch pTOgTCSS Of atoffi'S(C,O．S) sdSQrp1Oll oh8ISCfrnt Oil meta stlriaces,he preswpoon of reeq－stlnace Is employed．taring nCOat nO thC Otedat1Oll a:neCt Of trAnSit1Oll hetal CICCtrOM,hC thodCI and he means to deal wllxl he interaction betweell he adatom nd he metal sllnace cluster, so－called 5－prame'ter Morse Potential hs been constrUcted．It Is a sennemplncal method,wich resortsof C,O,S on Ni and Pd sllnaces have be印 mvestlgatCd．he bmd帖 e瞅凯 he adso冰lon gC…andandI．． elpenvlbratons幻c·re oha'－－－edbobroe planeand山e steppedm砌 删尬e through a systerruc research and cafdanon．川ong hehe i。s of＊the potenual enefgy s饲尬e of the adsorption system,the nucroscopc l'llletic 山缸'惦rs of＊the system canbepreestllll缸ed．BecausetheQ甲enmm沏'抢d 90 乔'安 山东师苑大学硕士研究生毕业论文 three low－mdex md田l别d眈es(100),(ill)and(110)re us叨to adjus山e 5 parameter at he same tlllle,he kneical charaCrs of adsopon for the 劝atom on m幻d别d眈e can recur throthrowt tills methoetho4．hs lso pplic洲e to the劝sorption system on he Stoped stlnaces ha re consrrllcted o门ow切由 s'k印 mClllloned 劝ove．So It Is called 5－parame比r Morse pot巴md n挪enden ofM刚d眈e StrUCtUr．he wbhuene of＊the tped别d眈es on 冰 adaomhasbeenalso invest佃d． 2．he EtChdCd LEPS tCdllllqde is COllSIfllCICd nd aPPliCd h he Sudy Of CO,HS on Ni and Pd sl．－u－－－－es．he thlee reqreslte pmpotential unctions for LEPS are descnbed as血11oeq:山e one hr gaseous口'刨om ls MMorse fimCtlon,the other two for smple atom and surface cluster Is applied he 5－ 严阳meter Morse potennai defined above．Moreover three Sato paraxneters(幻 are also needed．Line he 5 parameters mentloneu above,they re also pusted sh队以用忆onsb缸ough he p。ental data of three low index mckel planes． By nns reason and accoI口刀Dgo山e mdopendClCl of山e srparame柏了 Morse PotC旦煎al丘mCtl ons,山Extend d LEPLEPS刊皿力on is iso mdndep endeiendei of the SrIJct'Ure of the sllriace clustes．he microscopic inetc charaCters for CO, HS adsoopon on Ni and Pd sllnaces,mcludmg both the planes and the s'eth sm尤儿既,su劝 asthe adso仰on geom娜 the blnd阳 en娜 the ung缸ion ndnd the eigQllVlbrationse比．re ob柏肛出d．D田陷侣o sllnacllnace strUthees and iferenferen冰o恤on slteshave hl敝M蛐uences onthe adsoopon system,he companson amollg them Is pTOVlded m tills paper Accoreq to山e rew儿池e Msorption dla:aG－rers ofCO and HS on trans巾onal metal canbed叩edoat．刀光psc isN mve叨gae池 柏clllll仰e of 9】 乔'安 山东师范大学硕士研究主毕业论文 catalyZlll reao... |
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