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'''Feedback to this page''': '''[mailto:labadviser@nanolab.dtu.dk?Subject=Feed%20back%20from%20page%20http://labadviser.nanolab.dtu.dk/index.php?title=Specific_Process_Knowledge/Characterization/XPS/XPS_elemental_composition click here]'''
<!-- Page reviewed 9/8-2022 jmli -->
<!--Checked for updates on 4/9-2025 - ok/jmli -->


=Elemental composition analysis=
=Elemental composition analysis=
{{Author-jmli1}}
[[File:XPS survey.jpg|XPS spectrum of a sample consisting of the elements silicon, oxygen and carbon. {{image1}}]]
With a unique set of electronic states, each element has its own "finger-print" in the XPS spectrum. The electronic states in the atoms are occupied by electrons with a specific binding energy. In the spectrum above, the dominant peaks of carbon, oxygen and silicon are labelled. More peaks are seen in this socalled survey spectrum but they are all associated to these three elements. All elements have peaks within the wide energy range (usually 0 - 1350 eV binding energy) of the survey spectrum - hence any element that is present in the sample within its detection limit (roughly 1 % depending on element and acquisition setup) will show up in the survey spectrum as peaks of intensities that are determined by the respective concentrations.
As such, survey spectra are used to determined what elements are present in the sample.
For each element identified in the survey spectrum, one typically runs a spectrum at the dominant peak. These spectra have a much narrower energy ranges and therefore much smaller energy steps - this enables us to achieve much better energy resolution and hence to see the finer details of each element. These spectra, called high resolution spectra, contain the chemical information that is the strong selling point of the XPS technique.
== Table with approximate binding energies ==
The table below has been adapted from the web archive at https://xdb.lbl.gov/Section1/Sec_1-1.html.
=Hydrogen (1) to copper (29)=
{| border="2" cellspacing="0" cellpadding="1" {{table}}
| align="center" style="background:#f0f0f0;"|'''Orbital'''
| align="center" style="background:#f0f0f0;"|'''1s'''
| align="center" style="background:#f0f0f0;"|'''2s'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3s'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>3/2</sub>'''
|-
|  ''' 1  H'''||13,6||||||||||||
|-
|  '''2  He'''||24,6||||||||||||
|-
|  '''3  Li'''||54,7||||||||||||
|-
|  '''4  Be'''||111,5||||||||||||
|-
|  ''' 5  B'''||188||||||||||||
|-
|  '''6  C'''||284,2||||||||||||
|-
|  '''7  N'''||409,9||37,3||||||||||
|-
|  '''8  O'''||543,1||41,6||||||||||
|-
|  '''9  F'''||696,7||||||||||||
|-
| '''10  Ne'''||870,2||48,5||21,7||21,6||||||
|-
| '''11  Na'''||1070,8||63,5||30,65||30,81||||||
|-
| '''12  Mg'''||1303||88,7||49,78||49,5||||||
|-
| '''13  Al'''||1559,6||117,8||72,95||72,55||||||
|-
| '''14  Si'''||1839||149,7||99,82||99,42||||||
|-
| '''15  P'''||2145,5||189||136||135||||||
|-
| '''16  S'''||2472||230,9||163,6||162,5||||||
|-
| '''17  Cl'''||2822,4||270||202||200||||||
|-
| '''18  Ar'''||3205,9||326,3||250,6||248,4||29,3||15,9||15,7
|-
|''' 19  K'''||3608,4||378,6||297,3||294,6||34,8||18,3||18,3
|-
| '''20  Ca'''||4038,5||438,4||349,7||346,2||44,3||25,4||25,4
|-
|''' 21  Sc'''||4492||498||403,6||398,7||51,1||28,3||28,3
|-
| '''22  Ti'''||4966||560,9||460,2||453,8||58,7||32,6||32,6
|-
| '''23  V'''||5465||626,7||519,8||512,1||66,3||37,2||37,2
|-
| '''24  Cr'''||5989||696||583,8||574,1||74,1||42,2||42,2
|-
| '''25  Mn'''||6539||769,1||649,9||638,7||82,3||47,2||47,2
|-
| '''26  Fe'''||7112||844,6||719,9||706,8||91,3||52,7||52,7
|-
| '''27  Co'''||7709||925,1||793,2||778,1||101||58,9||59,9
|-
| '''28  Ni'''||8333||1008,6||870||852,7||110,8||68||66,2
|-
| '''29  Cu'''||8979||1096,7||952,3||932,7||122,5||77,3||75,1
|-
|}
= Zink (30) to iodine (53) =


[[image:Overview spectra Labadvisor.JPG|420x420px|left|thumb|XPS spectrum of a sample consisting of the elements silicon, oxygen and carbon.]]
{| border="2" cellspacing="0" cellpadding="1" {{table}}
| align="center" style="background:#f0f0f0;"|'''Orbital'''
| align="center" style="background:#f0f0f0;"|'''1s'''
| align="center" style="background:#f0f0f0;"|'''2s'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3s'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3d<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4s'''
| align="center" style="background:#f0f0f0;"|'''4p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4d<sub>5/2</sub>'''
|-
| '''30  Zn'''||9659||1196,2||1044,9||1021,8||139,8||91,4||88,6||10,2||10,1||||||||||
|-
| '''31  Ga'''||10367||1299||1143,2||1116,4||159,5||103,5||100||18,7||18,7||||||||||
|-
| '''32  Ge'''||11103||1414,6||1248,1||1217||180,1||124,9||120,8||29,8||29,2||||||||||
|-
| '''33  As'''||11867||1527||1359,1||1323,6||204,7||146,2||141,2||41,7||41,7||||||||||
|-
| '''34  Se'''||12658||1652||1474,3||1433,9||229,6||166,5||160,7||55,5||54,6||||||||||
|-
| '''35  Br'''||13474||1782||1596||1550||257||189||182||70||69||||||||||
|-
| '''36  Kr'''||14326||1921||1730,9||1678,4||292,8||222,2||214,4||95||93,8||27,5||14,1||14,1||||
|-
| '''37  Rb'''||15200||2065||1864||1804||326,7||248,7||239,1||113||112||30,5||16,3||15,3||||
|-
| '''38  Sr'''||16105||2216||2007||1940||358,7||280,3||270||136||134,2||38,9||21,3||20,1||||
|-
| '''39  Y'''||17038||2373||2156||2080||392||310,6||298,8||157,7||155,8||43,8||24,4||23,1||||
|-
| '''40  Zr'''||17998||2532||2307||2223||430,3||343,5||329,8||181,1||178,8||50,6||28,5||27,1||||
|-
| '''41  Nb'''||18986||2698||2465||2371||466,6||376,1||360,6||205||202,3||56,4||32,6||30,8||||
|-
|''' 42  Mo'''||20000||2866||2625||2520||506,3||411,6||394||231,1||227,9||63,2||37,6||35,5||||
|-
|''' 43  Tc'''||21044||3043||2793||2677||544||447,6||417,7||257,6||253,9||69,5||42,3||39,9||||
|-
|''' 44  Ru'''||22117||3224||2967||2838||586,1||483,5||461,4||284,2||280||75||46,3||43,2||||
|-
| '''45  Rh'''||23220||3412||3146||3004||628,1||521,3||496,5||311,9||307,2||81,4||50,5||47,3||||
|-
| '''46  Pd'''||24350||3604||3330||3173||671,6||559,9||532,3||340,5||335,2||87,1||55,7||50,9||||
|-
| '''47  Ag'''||25514||3806||3524||3351||719||603,8||573||374||368,3||97||63,7||58,3||||
|-
| '''48  Cd'''||26711||4018||3727||3538||772||652,6||618,4||411,9||405,2||109,8||63,9||63,9||11,7||10,7
|-
| '''49  In'''||27940||4238||3938||3730||827,2||703,2||665,3||451,4||443,9||122,9||73,5||73,5||17,7||16,9
|-
| '''50  Sn'''||29200||4465||4156||3929||884,7||756,5||714,6||493,2||484,9||137,1||83,6||83,6||24,9||23,9
|-
| '''51  Sb'''||30491||4698||4380||4132||946||812,7||766,4||537,5||528,2||153,2||95,6||95,6||33,3||32,1
|-
| '''52  Te'''||31814||4939||4612||4341||1006||870,8||820||583,4||573||169,4||103,3||103,3||41,9||40,4
|-
| '''53  I'''||33169||5188||4852||4557||1072||931||875||630,8||619,3||186||123||123||50,6||48,9
|-
|}


=Xenon (54) to gold (79) =


Each element give a specific "finger-print" in the XPS spectrum. The binding energy of the electrons in atoms are different for all elements, and when measuring a photoelectron spectrum over a wide range of energies, the main line from each element will be placed at a specific energy in the spectrum.
{| border="2" cellspacing="0" cellpadding="1" {{table}}
| align="center" style="background:#f0f0f0;"|'''Orbital'''
| align="center" style="background:#f0f0f0;"|'''1s'''
| align="center" style="background:#f0f0f0;"|'''2s'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3s'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3d<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4s'''
| align="center" style="background:#f0f0f0;"|'''4p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4d<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4f<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4f<sub>7/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''5s'''
| align="center" style="background:#f0f0f0;"|'''5p<sub>1/2</sub> '''
| align="center" style="background:#f0f0f0;"|'''5p<sub>3/2</sub>'''
|-
| '''54  Xe'''||34561||5453||5107||4786||1148,7||1002,1||940,6||689||676,4||213,2||146,7||145,5||69,5||67,5||—||—||23,3||13,4||12,1
|-
| '''55  Cs'''||35985||5714||5359||5012||1211||1071||1003||740,5||726,6||232,3||172,4||161,3||79,8||77,5||—||—||22,7||14,2||12,1
|-
| '''56  Ba'''||37441||5989||5624||5247||1293||1137||1063||795,7||780,5||253,5||192||178,6||92,6||89,9||—||—||30,3||17||14,8
|-
| '''57  La'''||38925||6266||5891||5483||1362||1209||1128||853||836||274,7||205,8||196||105,3||102,5||—||—||34,3||19,3||16,8
|-
| '''58  Ce'''||40443||6549||6164||5723||1436||1274||1187||902,4||883,8||291||223,2||206,5||109||—||0,1||0,1||37,8||19,8||17
|-
| '''59  Pr'''||41991||6835||6440||5964||1511||1337||1242||948,3||928,8||304,5||236,3||217,6||115,1||115,1||2||2||37,4||22,3||22,3
|-
| '''60  Nd'''||43569||7126||6722||6208||1575||1403||1297||1003,3||980,4||319,2||243,3||224,6||120,5||120,5||1,5||1,5||37,5||21,1||21,1
|-
| '''61  Pm'''||45184||7428||7013||6459||||1471||1357||1052||1027||||242||242||120||120||—||—||—||—||—
|-
| '''62  Sm''' ||46834||7737||7312||6716||1723||1541||1420||1110,9||1083,4||347,2||265,6||247,4||129||129||5,2||5,2||37,4||21,3||21,3
|-
| '''63  Eu'''||48519||8052||7617||6977||1800||1614||1481||1158,6||1127,5||360||284||257||133||127,7||0||0||32||22||22
|-
| '''64  Gd'''||50239||8376||7930||7243||1881||1688||1544||1221,9||1189,6||378,6||286||271||—||142,6||8,6||8,6||36||28||21
|-
| '''65  Tb'''||51996||8708||8252||7514||1968||1768||1611||1276,9||1241,1||396||322,4||284,1||150,5||150,5||7,7||2,4||45,6||28,7||22,6
|-
| '''66  Dy'''||53789||9046||8581||7790||2047||1842||1676||1333||1292,6||414,2||333,5||293,2||153,6||153,6||8||4,3||49,9||26,3||26,3
|-
| '''67  Ho'''||55618||9394||8918||8071||2128||1923||1741||1392||1351||432,4||343,5||308,2||160||160||8,6||5,2||49,3||30,8||24,1
|-
| '''68  Er'''||57486||9751||9264||8358||2207||2006||1812||1453||1409||449,8||366,2||320,2||167,6||167,6||—||4,7||50,6||31,4||24,7
|-
| '''69  Tm'''||59390||10116||9617||8648||2307||2090||1885||1515||1468||470,9||385,9||332,6||175,5||175,5||—||4,6||54,7||31,8||25
|-
| '''70  Yb'''||61332||10486||9978||8944||2398||2173||1950||1576||1528||480,5||388,7||339,7||191,2||182,4||2,5||1,3||52||30,3||24,1
|-
| '''71  Lu'''||63314||10870||10349||9244||2491||2264||2024||1639||1589||506,8||412,4||359,2||206,1||196,3||8,9||7,5||57,3||33,6||26,7
|-
| '''72  Hf'''||65351||11271||10739||9561||2601||2365||2108||1716||1662||538||438,2||380,7||220||211,5||15,9||14,2||64,2||38||29,9
|-
| '''73  Ta'''||67416||11682||11136||9881||2708||2469||2194||1793||1735||563,4||463,4||400,9||237,9||226,4||23,5||21,6||69,7||42,2||32,7
|-
| '''74  W'''||69525||12100||11544||10207||2820||2575||2281||1872||1809||594,1||490,4||423,6||255,9||243,5||33,6||31,4||75,6||45,3||36,8
|-
| '''75  Re'''||71676||12527||11959||10535||2932||2682||2367||1949||1883||625,4||518,7||446,8||273,9||260,5||42,9||40,5||83||45,6||34,6
|-
| '''76  Os'''||73871||12968||12385||10871||3049||2792||2457||2031||1960||658,2||549,1||470,7||293,1||278,5||53,4||50,7||84||58||44,5
|-
| '''77  Ir'''||76111||13419||12824||11215||3174||2909||2551||2116||2040||691,1||577,8||495,8||311,9||296,3||63,8||60,8||95,2||63||48
|-
| '''78  Pt'''||78395||13880||13273||11564||3296||3027||2645||2202||2122||725,4||609,1||519,4||331,6||314,6||74,5||71,2||101,7||65,3||51,7
|-
| '''79 Au'''||80725||14353||13734||11919||3425||3148||2743||2291||2206||762,1||642,7||546,3||353,2||335,1||87,6||84||107,2||74,2||57,2
|-
|}


Here is shown a spectrum measured over the energy range 0-1350 eV, and characteristic lines from three elements (C,O and Si) are seen and indicated in the spectrum.
= Mercury (80) to uranium (92)=


The instrument program can use this information to give an estimate of the sample composition, giving the atomic percentage of the different elements.
{| border="2" cellspacing="0" cellpadding="1" {{table}}
| align="center" style="background:#f0f0f0;"|'''Orbital'''
| align="center" style="background:#f0f0f0;"|'''1s'''
| align="center" style="background:#f0f0f0;"|'''2s'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''2p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3s'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''3d<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4s'''
| align="center" style="background:#f0f0f0;"|'''4p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4d<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4f<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''4f<sub>7/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''5s'''
| align="center" style="background:#f0f0f0;"|'''5p<sub>1/2</sub> '''
| align="center" style="background:#f0f0f0;"|'''5p<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''5d<sub>3/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''5d<sub>5/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''6s'''
| align="center" style="background:#f0f0f0;"|'''6p<sub>1/2</sub>'''
| align="center" style="background:#f0f0f0;"|'''6p<sub>3/2</sub>'''
|-
| '''80 Hg'''||83102||14839||14209||12284||3562||3279||2847||2385||2295||802,2||680,2||576,6||378,2||358,8||104||99,9||127||83,1||64,5||9,6||7,8||||||
|-
| '''81  Tl'''||85530||15347||14698||12658||3704||3416||2957||2485||2389||846,2||720,5||609,5||405,7||385||122,2||117,8||136||94,6||73,5||14,7||12,5||||||
|-
| '''82  Pb'''||88005||15861||15200||13035||3851||3554||3066||2586||2484||891,8||761,9||643,5||434,3||412,2||141,7||136,9||147||106,4||83,3||20,7||18,1||||||
|-
| '''83  Bi'''||90524||16388||15711||13419||3999||3696||3177||2688||2580||939||805,2||678,8||464||440,1||162,3||157||159,3||119||92,6||26,9||23,8||||||
|-
| '''84  Po'''||93105||16939||16244||13814||4149||3854||3302||2798||2683||995||851||705||500||473||184||184||177||132||104||31||31||||||
|-
| '''85  At'''||95730||17493||16785||14214||4317||4008||3426||2909||2787||1042||886||740||533||507||210||210||195||148||115||40||40||||||
|-
| '''86  Rn'''||98404||18049||17337||14619||4482||4159||3538||3022||2892||1097||929||768||567||541||238||238||214||164||127||48||48||26||||
|-
| '''87  Fr'''||101137||18639||17907||15031||4652||4327||3663||3136||3000||1153||980||810||603||577||268||268||234||182||140||58||58||34||15||15
|-
| '''88  Ra'''||103922||19237||18484||15444||4822||4490||3792||3248||3105||1208||1058||879||636||603||299||299||254||200||153||68||68||44||19|| 19
|-
| '''89  Ac'''||106755||19840||19083||15871||5002||4656||3909||3370||3219||1269||1080||890||675||639||319||319||272||215||167||80||80||—||—||-
|-
| '''90  Th'''||109651||20472||19693||16300||5182||4830||4046||3491||3332||1330||1168||966,4||712,1||675,2||342,4||333,1||290||229||182||92,5||85,4||41,4||24,5||16,6
|-
| '''91  Pa'''||112601||21105||20314||16733||5367||5001||4174||3611||3442||1387||1224||1007||743||708||371||360||310||232||232||94||94||—||—||-
|-
| '''92  U'''||115606||21757||20948||17166||5548||5182||4303||3728||3552||1439||1271||1043||778,3||736,2||388,2||377,4||321||257||192||102,8||94,2||43,9||26,8||16,8
|-
|}
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