XPS分析價(jià)態(tài)ppt課件

1、Core levelshValance bandEFEVBinding EnergyKinetic EnergyCharacteristic Photoelectron Core level electrons are ejected by the x-ray radiation The K.E. of the emitted electrons is dependent on:- Incident energy- Instrument work function- Element binding energyEhEBVKSPS-()EEBVBFSEhEBFKSP- X射線射線Mg 靶靶Al

2、靶靶能量能量(eV)相對(duì)強(qiáng)度相對(duì)強(qiáng)度能量能量(eV)相對(duì)強(qiáng)度相對(duì)強(qiáng)度K 11253.767.01486.767.0K 21253.433.01486.333.0K 1258.21.01492.31.0K 31262.19.21496.37.8K 41263.15.11498.23.3K 51271.00.81506.50.42K 61274.20.51510.10.28K 1302.02.01557.02.0 射射 線線 能能 量量半峰高寬半峰高寬(eV)YM 132.30.44ZrM 151.40.77NaK 1041.00.4MgK 1253.60.7AlK 1486.60.8SiK 17

3、39.40.8TiK 145111.4CrK 154152.1CuK 180482.5En l jEn l jBKTSCF( , , )( , , ) -EEEBadBKTrelax-EEEEEBSCFrelaxrelatcorr-原原 子子1s2s3p3s3p3d4sHeLiBeBCNOFNeNa1.53.87.010.613.716.619.322.124.824.0 0.00.71.62.43.03.64.14.84.1 0.71.62.43.23.94.74.4 原原 子子1s2s3p3s3p3d4sMgAlSiPSClArKTiMnCu24.626.127.128.329.530.7

4、31.832.835.440.148.25.26.17.07.88.59.39.910.813.017.223.76.07.18.08.89.610.411.112.214.418.825.70.71.01.21.31.41.61.82.23.65.17.70.20.40.60.91.11.42.03.44.97.2 2.03.65.3 0.30.40.3計(jì)計(jì) 算算 方方 法法EB(eV)1s2sKoopmans定理定理SCF理論方法直接計(jì)算方法直接計(jì)算方法SCF理論方法考慮相對(duì)論校正考慮相對(duì)論校正及相關(guān)作用校正實(shí)驗(yàn)測(cè)量值實(shí)驗(yàn)測(cè)量值981.7868.6869.4870.8870.252.549

5、.349.348.348.4不同方法求得的不同方法求得的Ne1s和和Ne2s軌道結(jié)合能對(duì)比軌道結(jié)合能對(duì)比 EEBVBFSEB=0 Schon1972Johansson1973Asami1976Richter1978Bird1980Cu 3pAu 4f7/2Ag 3d5/2Cu 2p3/2Cu LMM,EKEB，EF ref分析儀器分析儀器 75.2 0.1 84.0368.2932.2 0.1919.0 0.1567.6 0.1PdAEIES100 83.8 0.2368.2 0.2932.8 0.2918.3 0.2568.35 .2PdMaqnelic 84.07368.23932.539

6、18.65567.96PdAEIES200 84.0 932.7918.35568.25PdAEIES200 83.98 0.02368.21 0.03932.66 0.06918.64 0.04567.97 0.04PdAEIES200B Al K Mg K Cu 3pAu 4f7/2Ag 3d5/2Cu L3MMCu 2p3/2Ag M4NN 75.14 0.02 83.98 0.02 368.27 0.02 567.97 0.02 932.67 0.021128.79 0.02 75.13 0.02 84.00 0.01 368.29 0.01 334.95 0.01 932.67 0.

7、02 895.76 0.02Seah給出的結(jié)合能標(biāo)定值給出的結(jié)合能標(biāo)定值 EhEEKBFSPS-2 , 1corr2 , 1relat2 , 1relax2 , 1SCF2 , 1VB)()()()()(EEEKEKE-EKEKEKBVSCF+SCF() .()() -05EEEBVVMEkqVEBVRVqRAB0ABB A4qQnIAAB AIXXXXXX-ABABAB|exp.() 10252含碳化合物含碳化合物C1s電子結(jié)合能位移同原子電荷電子結(jié)合能位移同原子電荷q的關(guān)系的關(guān)系 EeBVConstant AAB0ABA B4 - 21410()|*rZREeBVAEk qe VBVAAN

8、NN2he -()*NHN H*33he -()EHHBV2(N1s,N )NNN-()()*2EHHBV3(N1s,NH )N HNH-()()*33EHHBV2(N1s,N )NON-()()2EHHBV3(N1s,NH )OHNH-()()33)N()NO()NH()OH()NNH(N1s,23323VBHHHHE-Mg陽(yáng)極陽(yáng)極X射線激發(fā)的射線激發(fā)的C1s主峰及伴峰主峰及伴峰 Contaminating RadiationAnode MaterialsMgAlO (K )Cu (L )Mg (K )Al (K )728.7323.9-233.0961.7556.9233.0-Ne的震激和震離過(guò)程的示意圖的震激和震離過(guò)程的示意圖 Cu的的2p譜線及震激結(jié)構(gòu)譜線及震激結(jié)構(gòu) Mn+離子的離子的3s軌道電離時(shí)的兩種終態(tài)軌道電離時(shí)的兩種終態(tài) MnF2的的Mn3s電子的電子的XPS譜譜 EhEnEEnKBPS-EESP/2Al的的2s譜線及相關(guān)的能量損失線譜線及相關(guān)的能量損失線 S的的2p峰在不同化學(xué)狀態(tài)下的結(jié)合能值峰在不同化學(xué)狀態(tài)下的結(jié)合能值 Ti及及TiO2中中2p3/2峰的峰位及峰的峰位及2p1/2和和2p3/2之間的距離之間的距離 CF4C6H6COCH4半峰高寬半峰高寬(eV)0.520.570.650.72C1s在不同化學(xué)狀態(tài)下半峰高