LiBr LiCl LiF LiI LiAlO2 LiB3O5 Li2B4O7 LiBF4 LiGaO2 LiNbO3
Li2CO3 Li2MoO4 Li2SO4 Li2WO4 LiFePO4 Basic

XPS Spectra
Lithium (Li) Compounds
The XPS Spectra section provides raw and processed survey spectra, chemical state spectra, BE values, FWHM values, and overlays of key spectra.
Atom% values from surveys are based on sample, as received, and Scofield cross-sections. Atom% values are corrected for IMFP and PE.
Peak-fits are guides for practical, real-world applications. Peak-fits are not fully optimized or designed to test any theory.

Lithium Niobate  (LiNbO3 – single crystal)
Survey, Peak-fits, BEs, FWHMs, and Peak Labels

→  Periodic Table   → Six (6) BE Tables
Survey Spectrum from LiNbO3
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag (3d5/2) FWHM = 1.3 eV
→  Periodic Table  → Six (6) BE Tables
Nb (3d) Spectrum from LiNbO3 – Raw
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Nb (3d) Spectrum from LiNbO3 – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
 
Nb (3d) Spectrum from LiNbO3 – Extended Range
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Nb (3d) Spectrum from LiNbO3 – Raw – Vertically Expanded
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV

→  Periodic Table  → Six (6) BE Tables
O (1s) Spectrum from LiNbO3 – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 O (1s) Spectrum from LiNbO3 – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table  → Six (6) BE Tables
O (1s) Spectrum from LiNbO3 – Raw – Extended Range
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 O (1s) Spectrum from LiNbO3 – Raw – Vertically Expanded
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table  → Six (6) BE Tables
Li (1s) Spectrum from LiNbO3 – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Li (1s) Spectrum from LiNbO3 – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table  → Six (6) BE Tables
C (1s) Spectrum from LiNbO3 – Peak-fit – uncorrected
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 283.65 eV, Ag FWHM = 0.75 eV		 C (1s) Spectrum from LiNbO3 – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table  → Six (6) BE Tables
Nb (4s) Spectrum from LiNbO3 – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Nb (4s) Spectrum from LiNbO3  – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
 
→  Periodic Table  → Six (6) BE Tables
O (KLL) Auger Signals from LiNbO3 – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Valence Band Signals from LiNbO3 – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
 
Overlays
→  Periodic Table  → Six (6) BE Tables
Valence Band Spectra – Overlay of Nbo and LiNbO3
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Nb (3d) Spectra – Overlay of Nbo and LiNbO3
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table  → Six (6) BE Tables
Nb (3d) Spectra – Overlay of Nbo, Nb2O5 and LiNbO3
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Nb (3d) Spectra – Overlay of Nbo and LiNbO3 Loss Peaks
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV

End-of-spectra

Price to purchase raw data sets:
Raw spectra – VAMAS ASCII format ($6)
Raw spectra – SDP binary format ($5)
SDP v9 – $145 (3 yr license)

 

 

Transmission Function Tests
 

December 2015 – Transmission Function of Thermo K-Alpha Plus
→  Periodic Table 
Survey Spectra of Ion Etched Copper (Cu), PEs = 50, 100, 150 and 200 eV
→  Periodic Table 
March 2016 – Transmission Function of Thermo K-Alpha Plus 
 
Survey Spectra of Ion Etched Copper (Cu), PEs = 100, 150 and 200 eV
→  Periodic Table  
August 2019 – Transmission Function of Thermo K-Alpha Plus
 
Survey Spectra of HOPG (C), PEs = 20, 50, 100 and 200 eV
→  Periodic Table  
January 2022 – Transmission Function of Thermo K-Alpha Plus
Survey Spectra of Ion Etched Copper (Cu), PEs = 100, 120, 140, 160, 180 and 200 eV

End-of-Transmission-Function-Tests

 

Six (6) Chemical State Tables of Li (1s) BEs

 

  • The XPS Library Spectra-Base
  • PHI Handbook
  • Thermo-Scientific Website
  • XPSfitting Website
  • Techdb Website
  • NIST Website

 

 

Notes of Caution when using Published BEs and BE Tables from Insulators and Conductors:

  • Accuracy of Published BEs
    • The accuracy depends on the calibration BEs used to calibrate the energy scale of the instrument.  Cu (2p3/2) BE can vary from 932.2 to 932.8 eV for old publications
    • Different authors use different BEs for the C (1s) BE of the hydrocarbons found in adventitious carbon that appears on all materials and samples.  From 284.2 to 285.3 eV
    • The accuracy depends on when the authors last checked or adjusted their energy scale to produce the expected calibration BEs
  • Worldwide Differences in Energy Scale Calibrations
    • For various reasons authors still use older energy scale calibrations
    • Some authors still adjust their energy scale so Cu (2p3/2) appears at 932.2 eV or 932.8 eV because this is what the maker taught them
    • This range causes BEs in the higher BE end to be larger than expected
    • This variation increases significantly above 600 eV BE
  • Charge Compensation
    • Samples that behave as true insulators normally require the use of a charge neutralizer (electron flood gun with or without Ar+ ions) so that the measured chemical state spectra can be produced without peak-shape distortions or sloping tails on the low BE side of the peak envelop.
    • Floating all samples (conductive, semi-conductive, and non-conductive) and always using the electron flood gun is considered to produce more reliable BEs and is recommended.
  • Charge Referencing Methods for Insulators
    • Charge referencing is a common method, but it can produce results that are less reliable.
    • When an electron flood gun is used, the BE scale will usually shift to lower BE values by 0.01 to 5.0 eV depending on your voltage setting. Normally, to correct for this flood gun induced shift, the BE of the hydrocarbon C (1s) peak maximum from adventitious carbon is used to correct for the charge induced shift.
    • The hydrocarbon peak is normally the largest peak at the lowest BE.
    • Depending on your preference or training, the C (1s) BE assigned to this hydrocarbon peak varies from 284.8 to 285.0 eV.  Other BEs can be as low as 284.2 eV or as high as 285.3 eV
    • Native oxides that still show the pure metal can suffer differential charging that causes the C (1s) and the O (1s) and the Metal Oxide BE to be larger
    • When using the electron flood gun, the instrument operator should adjust the voltage and the XY position of the electron flood gun to produce peaks from a strong XPS signal (eg O (1s) or C (1s) having the most narrow FWHM and the lowest experimentally measured BE.

→  Periodic Table 

Table #1

Li (1s) Chemical State BEs from:  “The XPS Library Spectra-Base”

C (1s) BE = 285.0 eV for TXL BEs
and C (1s) BE = 284.8 eV for NIST BEs

Element Atomic # Compound As-Measured by TXL or NIST Average BE Largest BE in NIST Hydrocarbon C (1s) BE Source
Li 3 Li – element ~54.7 eV 284.8 eV PHI Handbook
Li 3 Li-OH   (N*1) 54.9 eV 284.8 eV Avg BE – NIST
Li 3 Li2CO3 (N*2) 55.1 eV 55.2 eV 284.8 eV Avg BE – NIST
Li 3 Li2WO4 55.1 eV 285.0 eV The XPS Library
Li 3 Li2CO3 55.2 eV 285.0 eV The XPS Library
Li 3 Li2O 55.4 eV 285.0 eV The XPS Library
Li 3 Li2O (N*1) 55.6 eV 55.8 eV 284.8 eV Avg BE – NIST
Li 3 Li-F (N*3) 55.7 eV 56.7 eV 284.8 eV Avg BE – NIST
Li 3 Li-Cl (N*3) 55.8 eV 56.2 eV 284.8 eV Avg BE – NIST
Li 3 Li2SO4 55.8 eV 285.0 eV The XPS Library
Li 3 Li-F 55.9 eV 285.0 eV The XPS Library
Li 3 Li1B3O5 56.3 eV 285.0 eV The XPS Library
Li 3 Li-Cl 56.6 eV 285.0 eV The XPS Library
Li 3 Li-Br 56.6 eV 285.0 eV The XPS Library
Li 3 Li-I 56.8 eV 285.0 eV The XPS Library
Li 3 LiAlSi2O6 56.8 eV 285.0 eV The XPS Library

Charge Referencing

  • (N*number) identifies the number of NIST BEs that were averaged to produce the BE in the middle column.
  • Binding Energy Scale Calibration expects Cu (2p3/2) BE = 932.62 eV and Au (4f7/2) BE = 83.98 eV.  BE (eV) Uncertainty Range:  +/- 0.2 eV
  • Charge Referencing of insulators is defined such that the Adventitious Hydrocarbon C (1s) BE (eV) = 285.0 eV.  NIST uses C (1s) BE = 284.8 eV 
  • Note:   Ion etching removes adventitious carbon, implants Ar (+), changes conductivity of surface, and degrades chemistry of various chemical states.
  • Note:  Ion Etching changes BE of C (1s) hydrocarbon peak.
  • TXL – abbreviation for: “The XPS Library” (https://xpslibrary.com).  NIST:  National Institute for Science and Technology (in USA)

→  Periodic Table 

Table #2

Li (1s) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

Li (1s) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV)
Li (1s)
Li2TiO3 54.7 eV
Li2CO3 55.4 eV
Li2B4O7 55.9 eV
LiF 56.1 eV
LiCl 56.3 eV

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

Li (1s) Chemical State BEs from:  “XPSfitting” Website

Chemical State BE Table derived by Averaging BEs in the NIST XPS database of BEs
C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Mark Beisinger

Table #5

Li (1s) Chemical State BEs from:  “Techdb.podzone.net” Website

 

XPS Spectra – Chemical Shift | Binding Energy
C (1s) BE = 284.6 eV

 

XPS(X線光電子分光法)スペクトル 化学状態 化学シフト ケミカルシフト

Element Level Compound B.E.(eV) min max
Li 1s Li 54.8 ±0.3 54.5 ～ 55.0
Li 1s LiNbO3 55.0 ±0.3 54.7 ～ 55.2
Li 1s LiOH 55.0 ±0.2 54.8 ～ 55.2
Li 1s Li2CO3 55.2 ±0.3 54.9 ～ 55.4
Li 1s Li2O 55.5 ±0.2 55.3 ～ 55.7
Li 1s Li3PO4 55.5 ±0.2 55.3 ～ 55.7
Li 1s LiF 55.6 ±0.2 55.4 ～ 55.8
Li 1s Li4P2O7 55.6 ±0.2 55.4 ～ 55.8
Li 1s LiCl 56.0 ±0.3 55.7 ～ 56.3
Li 1s LiBr 56.8 ±0.3 56.5 ～ 57.0

→  Periodic Table 

 

 
 

Histograms of NIST BEs from Li (1s)

Important Note:  NIST Database defines Adventitious Hydrocarbon C (1s) BE = 284.8 eV for all insulators.

 

Histogram indicates:  55.0 eV for Lio based on 5 literature BEs Histogram indicates:  54.5 eV for LiF based on 4 literature BEs

Histogram indicates:  56.0 eV for LiCl based on 3 literature BEs 

Table #6

NIST Database of Li (1s) Binding Energies

NIST Standard Reference Database 20, Version 4.1

Data compiled and evaluated
by
Alexander V. Naumkin, Anna Kraut-Vass, Stephen W. Gaarenstroom, and Cedric J. Powell
©2012 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

Important Note:  NIST Database defines Adventitious Hydrocarbon C (1s) BE = 284.8 eV for all insulators.

 

Element Spectral Line Formula Energy (eV) Reference
Li 1s LiF 49.90  Click
Li 1s Li0.3Ni0.7O 53.60  Click
Li 1s LiNiO2 53.60  Click
Li 1s (Bi2O3)0.200(LiBO2)0.800 54.40  Click
Li 1s (Li2O)0.5(B2O3)0.494(Bi2O3)0.006 54.50  Click
Li 1s Li 54.60  Click
Li 1s Li/Si 54.70  Click
Li 1s Li/Si 54.70  Click
Li 1s (Li2O)0.5(B2O3)0.496(Bi2O3)0.004 54.70  Click
Li 1s Li 54.80  Click
Li 1s LiNbO3 54.80  Click
Li 1s LiBO2 54.80  Click
Li 1s LiBO2 54.80  Click
Li 1s (Li2O)0.4(B2O3)0.54(Bi2O3)0.06 54.80  Click
Li 1s (Li2O)0.5(B2O3)0.5 54.80  Click
Li 1s LiOH 54.90  Click
Li 1s Li 54.90  Click
Li 1s (Bi2O3)0.150(LiBO2)0.850 54.90  Click
Li 1s Li/Si 54.98  Click
Li 1s Li/Si 54.98  Click
Li 1s Li2WO4 55.00  Click
Li 1s Li2WO4 55.00  Click
Li 1s (Li2O)40(P2O5)24(MoO3)36 55.00  Click
Li 1s (Li2O)40(P2O5)18(MoO3)42 55.00  Click
Li 1s (Bi2O3)0.100(LiBO2)0.900 55.00  Click
Li 1s (Bi2O3)0.050(LiBO2)0.950 55.00  Click
Li 1s (Bi2O3)0.020(LiBO2)0.980 55.00  Click
Li 1s (Bi2O3)0.015(LiBO2)0.985 55.00  Click
Li 1s Li/Si 55.01  Click
Li 1s Li/Si 55.01  Click
Li 1s (Li2O)0.50(B2O3)0.50 55.05  Click
Li 1s Li 55.10  Click
Li 1s Li2WO4 55.10  Click
Li 1s (Li2O)40(P2O5)36(MoO3)24 55.10  Click
Li 1s (Li2O)50(P2O5)30(MoO3)20 55.10  Click
Li 1s (Bi2O3)0.010(LiBO2)0.990 55.10  Click
Li 1s (Bi2O3)0.250(LiBO2)0.750 55.10  Click
Li 1s (Bi2O3)0.002(LiBO2)0.998 55.10  Click
Li 1s (Li2O)0.4(B2O3)0.40(Bi2O3)0.20 55.10  Click
Li 1s (Li2O)0.4(B2O3)0.592(Bi2O3)0.008 55.10  Click
Li 1s (Li2O)0.5(B2O3)0.40(Bi2O3)0.10 55.10  Click
Li 1s Li2CO3 55.12  Click
Li 1s Li2CO3 55.20  Click
Li 1s LiN3 55.20  Click
Li 1s (Li2O)50(P2O5)25(MoO3)25 55.20  Click
Li 1s (Li2O)0.50(P2O5)0.35(WO3)0.15 55.20  Click
Li 1s (Li2O)0.50(P2O5)0.45(WO3)0.05 55.20  Click
Li 1s LiPO3 55.20  Click
Li 1s LiBO2 55.20  Click
Li 1s LiBO2 55.20  Click
Li 1s Li/Si 55.20  Click
Li 1s Li/Si 55.20  Click
Li 1s (Bi2O3)0.025(LiBO2)0.975 55.20  Click
Li 1s (Bi2O3)0.001(LiBO2)0.999 55.20  Click
Li 1s (Bi2O3)0.004(LiBO2)0.996 55.20  Click
Li 1s (Li2O)0.4(B2O3)0.50(Bi2O3)0.10 55.20  Click
Li 1s (Li2O)0.5(B2O3)0.499(Bi2O3)0.001 55.20  Click
Li 1s (Li2O)0.5(B2O3)0.42(Bi2O3)0.08 55.20  Click
Li 1s (Li2O)0.40(B2O3)0.60 55.25  Click
Li 1s (Li2O)40(P2O5)54(MoO3)6 55.30  Click
Li 1s (Li2O)50(P2O5)35(MoO3)15 55.30  Click
Li 1s (Li2O)60(P2O5)36(MoO3)4 55.30  Click
Li 1s (Li2O)0.50(P2O5)0.10(WO3)0.40 55.30  Click
Li 1s (Li2O)41.3(P2O5)53.1(Cr2O3)5.6 55.30  Click
Li 1s (Li2O)(P2O5) 55.30  Click
Li 1s LiNbO3 55.30  Click
Li 1s (F2)0.05((Li2O)0.40(B2O3)0.60)0.95 55.30  Click
Li 1s (F2)0.10((Li2O)0.30(B2O3)0.70)0.90 55.30  Click
Li 1s (Li2O)0.4(B2O3)0.6 55.30  Click
Li 1s Li/Si 55.33  Click
Li 1s Li/Si 55.33  Click
Li 1s Li 55.35  Click
Li 1s O2/Li 55.35  Click
Li 1s (F2)0.10((Li2O)0.50(B2O3)0.50)0.90 55.35  Click
Li 1s Li3PO4 55.40  Click
Li 1s Li4P2O7 55.40  Click
Li 1s Li/CaO 55.40  Click
Li 1s (Li2O)50(P2O5)50 55.40  Click
Li 1s (Li2O)0.50(P2O5)0.05(WO3)0.45 55.40  Click
Li 1s (Li2O)0.50(P2O5)0.50 55.40  Click
Li 1s (Li2O)40(P2O5)30(MoO3)30 55.40  Click
Li 1s (Li2O)50(P2O5)45(MoO3)5 55.40  Click
Li 1s (Li2O)0.50(P2O5)0.40(WO3)0.10 55.40  Click
Li 1s Li/Al 55.40  Click
Li 1s (Li2O)47.3(P2O5)52.7 55.40  Click
Li 1s (Li2O)0.4(B2O3)0.598(Bi2O3)0.002 55.40  Click
Li 1s (F2)0.15((Li2O)0.50(B2O3)0.50)0.85 55.40  Click
Li 1s (LiF)0.40(LiPO3)0.60 55.40  Click
Li 1s (Bi2O3)0.003(LiBO2)0.997 55.40  Click
Li 1s (Bi2O3)0.005(LiBO2)0.995 55.40  Click
Li 1s (Li2O)0.4(B2O3)0.59(Bi2O3)0.01 55.40  Click
Li 1s (Li2O)0.4(B2O3)0.596(Bi2O3)0.004 55.40  Click
Li 1s (Li2O)0.5(B2O3)0.498(Bi2O3)0.002 55.40  Click
Li 1s (Li2O)0.5(B2O3)0.497(Bi2O3)0.003 55.40  Click
Li 1s (Li2O)0.5(B2O3)0.492(Bi2O3)0.008 55.40  Click
Li 1s (Li2O)0.5(B2O3)0.48(Bi2O3)0.02 55.40  Click
Li 1s (Li2O)60(P2O5)40 55.50  Click
Li 1s (Li2O)40(P2O5)42(MoO3)18 55.50  Click
Li 1s (Li2O)50(P2O5)40(MoO3)10 55.50  Click
Li 1s (Li2O)0.50(P2O5)0.15(WO3)0.35 55.50  Click
Li 1s (Li2O)0.50(P2O5)0.20(WO3)0.30 55.50  Click
Li 1s (Li2O)58.8(P2O5)37.1(Cr2O3)4.2 55.50  Click
Li 1s (Li2O)60.4(P2O5)32.0(Cr2O3)7.6 55.50  Click
Li 1s (Li2O)49.5(P2O5)45.5(Cr2O3)5.0 55.50  Click
Li 1s (Li2O)50.5(P2O5)30.4(Cr2O3)19.1 55.50  Click
Li 1s (Li2O)61.7(P2O5)38.3 55.50  Click
Li 1s (LiF)0.18(LiPO3)0.82 55.50  Click
Li 1s (F2)0.30(LiPO3)0.70 55.50  Click
Li 1s (F2)0.40(LiPO3)0.60 55.50  Click
Li 1s (LiF)0.15(LiPO3)0.85 55.50  Click
Li 1s (LiF)0.30(LiPO3)0.70 55.50  Click
Li 1s (LiF)0.35(LiPO3)0.65 55.50  Click
Li 1s (F2)0.20((Li2O)0.30(B2O3)0.70)0.80 55.50  Click
Li 1s (F2)0.20((Li2O)0.50(B2O3)0.50)0.80 55.50  Click
Li 1s (Li2O)0.4(B2O3)0.594(Bi2O3)0.006 55.50  Click
Li 1s (Li2O)0.5(B2O3)0.49(Bi2O3)0.01 55.50  Click
Li 1s (Li2O)0.5(B2O3)0.47(Bi2O3)0.03 55.50  Click
Li 1s (Li2O)0.5(B2O3)0.30(Bi2O3)0.20 55.50  Click
Li 1s Li/Si 55.54  Click
Li 1s Li/Si 55.54  Click
Li 1s (F2)0.25((Li2O)0.30(B2O3)0.70)0.75 55.55  Click
Li 1s (F2)0.05((Li2O)0.50(B2O3)0.50)0.95 55.55  Click
Li 1s (F2)0.10((Li2O)0.40(B2O3)0.60)0.90 55.56  Click
Li 1s Li/Si 55.58  Click
Li 1s Li/Si 55.58  Click
Li 1s Li2O 55.60  Click
Li 1s Li4P2O7 55.60  Click
Li 1s LiCrO2 55.60  Click
Li 1s LiClO4 55.60  Click
Li 1s LiClO4 55.60  Click
Li 1s O2/Li 55.60  Click
Li 1s (Li2O)40(P2O5)60 55.60  Click
Li 1s (Li2O)0.50(P2O5)0.20(WO3)0.30 55.60  Click
Li 1s (Li2O)0.50(P2O5)0.25(WO3)0.25 55.60  Click
Li 1s (Li2O)0.50(P2O5)0.30(WO3)0.20 55.60  Click
Li 1s (Li2O)40.7(P2O5)59.3 55.60  Click
Li 1s (Li2O)40.2(P2O5)35.3(Cr2O3)24.6 55.60  Click
Li 1s (Li2O)51.0(P2O5)39.4(Cr2O3)9.7 55.60  Click
Li 1s (Li2O)51.1(P2O5)36.9(Cr2O3)12.0 55.60  Click
Li 1s (LiF)0.05(LiPO3)0.95 55.60  Click
Li 1s (Li2O)0.30(B2O3)0.70 55.60  Click
Li 1s (F2)0.05((Li2O)0.30(B2O3)0.70)0.95 55.65  Click
Li 1s LiF 55.70  Click
Li 1s LiF 55.70  Click
Li 1s Li/CaO 55.70  Click
Li 1s Li2.74V2O5 55.70  Click
Li 1s O2/Li 55.70  Click
Li 1s (Li2O)40(P2O5)48(MoO3)12 55.70  Click
Li 1s LiB3O5 55.70  Click
Li 1s (Li2O)40.5(P2O5)47.4(Cr2O3)12.1 55.70  Click
Li 1s (Li2O)40.1(P2O5)41.9(Cr2O3)18.0 55.70  Click
Li 1s (F2)0.20(LiPO3)0.80 55.70  Click
Li 1s (F2)0.25(LiPO3)0.75 55.70  Click
Li 1s (F2)0.35(LiPO3)0.65 55.70  Click
Li 1s (LiF)0.10(LiPO3)0.90 55.70  Click
Li 1s (F2)0.30((Li2O)0.30(B2O3)0.70)0.70 55.70  Click
Li 1s Li2SO4 55.75  Click
Li 1s (F2)0.20((Li2O)0.40(B2O3)0.60)0.80 55.75  Click
Li 1s LiCl 55.80  Click
Li 1s LiNO3 55.80  Click
Li 1s (F2)0.15((Li2O)0.30(B2O3)0.70)0.85 55.85  Click
Li 1s (F2)0.15((Li2O)0.40(B2O3)0.60)0.85 55.85  Click
Li 1s O2/Li 55.90  Click
Li 1s (F2)0.25((Li2O)0.40(B2O3)0.60)0.75 55.90  Click
Li 1s Li/CaO 56.00  Click
Li 1s LiCl 56.10  Click
Li 1s Li/Si 56.12  Click
Li 1s Li/Si 56.12  Click
Li 1s Li/Si 56.13  Click
Li 1s Li/Si 56.13  Click
Li 1s Li/Si 56.17  Click
Li 1s Li/Si 56.17  Click
Li 1s LiCl 56.20  Click
Li 1s Li/CaO 56.30  Click
Li 1s LiClO4 56.50  Click
Li 1s LiClO4 56.50  Click
Li 1s Li/Si 56.60  Click
Li 1s Li/Si 56.60  Click
Li 1s Li/Si 56.62  Click
Li 1s Li/Si 56.62  Click
Li 1s Li/Si 56.65  Click
Li 1s Li/Si 56.65  Click
Li 1s LiF 56.70  Click
Li 1s LiBr 56.80  Click
Li 1s LiF 56.80  Click
Li 1s Li/CaO 56.80  Click
Li 1s Li2CrO4 57.10  Click
Li 1s LiC6 57.10  Click
Li 1s LiClO4 57.20  Click
Li 1s LiClO4 57.20  Click

→  Periodic Table 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

Six (6) Chemical State Tables of Nb (3d5/2) BEs

 

  • The XPS Library Spectra-Base
  • PHI Handbook
  • Thermo-Scientific Website
  • XPSfitting Website
  • Techdb Website
  • NIST Website

→  Periodic Table 

 

Notes of Caution when using Published BEs and BE Tables from Insulators and Conductors:

  • Accuracy of Published BEs
    • The accuracy depends on the calibration BEs used to calibrate the energy scale of the instrument.  Cu (2p3) BE can vary from 932.2 to 932.8 eV for old publications 
    • Different authors use different BEs for the C (1s) BE of the hydrocarbons found in adventitious carbon that appears on all materials and samples.  From 284.2 to 285.3 eV
    • The accuracy depends on when the authors last checked or adjusted their energy scale to produce the expected calibration BEs
  • Worldwide Differences in Energy Scale Calibrations
    • For various reasons authors still use older energy scale calibrations 
    • Some authors still adjust their energy scale so Cu (3d5/2) appears at 932.2 eV or 932.8 eV because this is what the maker taught them
    • This range causes BEs in the higher BE end to be larger than expected 
    • This variation increases significantly above 600 eV BE
  • Charge Compensation
    • Samples that behave as true insulators normally require the use of a charge neutralizer (electron flood gun with or without Ar+ ions) so that the measured chemical state spectra can be produced without peak-shape distortions or sloping tails on the low BE side of the peak envelop. 
    • Floating all samples (conductive, semi-conductive, and non-conductive) and always using the electron flood gun is considered to produce more reliable BEs and is recommended.
  • Charge Referencing Methods for Insulators
    • Charge referencing is a common method, but it can produce results that are less reliable.
    • When an electron flood gun is used, the BE scale will usually shift to lower BE values by 0.01 to 5.0 eV depending on your voltage setting. Normally, to correct for this flood gun induced shift, the BE of the hydrocarbon C (1s) peak maximum from adventitious carbon is used to correct for the charge induced shift.
    • The hydrocarbon peak is normally the largest peak at the lowest BE. 
    • Depending on your preference or training, the C (1s) BE assigned to this hydrocarbon peak varies from 284.8 to 285.0 eV.  Other BEs can be as low as 284.2 eV or as high as 285.3 eV
    • Native oxides that still show the pure metal can suffer differential charging that causes the C (1s) and the O (1s) and the Metal Oxide BE to be larger
    • When using the electron flood gun, the instrument operator should adjust the voltage and the XY position of the electron flood gun to produce peaks from a strong XPS signal (eg O (1s) or C (1s) having the most narrow FWHM and the lowest experimentally measured BE. 

→  Periodic Table 

Table #1

Nb (3d5/2) Chemical State BEs from:  “The XPS Library Spectra-Base”

C (1s) BE = 285.0 eV for TXL BEs
and C (1s) BE = 284.8 eV for NIST BEs

Element Atomic # Compound As-Measured by TXL or NIST Average BE Largest BE Hydrocarbon C (1s) BE  Source
Nb 41 Nb (N*13) 201.5 eV 202.6 eV 284.8 eV Avg BE – NIST
Nb 41 Nb – element 202.1 eV 285.0 eV The XPS Library
Nb 41 Nb-O (N*3) 202.8 eV 204.7 eV 284.8 eV Avg BE – NIST
Nb 41 Nb-N 203.1 eV 285.0 eV The XPS Library
Nb 41 Nb-Se2 (N*1) 203.4 eV 284.8 eV Avg BE – NIST
Nb 41 Nb-N (N*5) 203.5 eV 203.8 eV 284.8 eV Avg BE – NIST
Nb 41 NbC (N*1) 203.7 eV 284.8 eV Avg BE – NIST
Nb 41 Nb-C 203.8 eV 285.0 eV The XPS Library
Nb 41 NbO2 (N*4) 205.2 eV 207.6 eV 284.8 eV Avg BE – NIST
Nb 41 KNbO3 (N*1) 206.5 eV 284.8 eV Avg BE – NIST
Nb 41 NaNbO3 (N*2) 206.6 eV 284.8 eV Avg BE – NIST
Nb 41 NbI5 (N*1) 207.01 wV 284.8 eV Avg BE – NIST
Nb 41 LiNbO3 (N*1) 207.1 eV 284.8 eV Avg BE – NIST
Nb 41 NbBr5 (N*1) 207.1 eV 284.8 eV Avg BE – NIST
Nb 41 Nb2O5 (N*14) 207.2 eV 208.2 eV 284.8 eV Avg BE – NIST
Nb 41 Nb-2O5 207.4 eV 285.0 eV The XPS Library
Nb 41 Nb-S2 (N*1) 207.7 eV 284.8 eV Avg BE – NIST
Nb 41 NbCl5 (N*1) 208.0 eV 284.8 eV Avg BE – NIST
Nb 41 K2NbF7 (N*1) 209.4 eV 285.0 eV Avg BE – NIST
Nb 41 Nb-(OH)2 285.0 eV The XPS Library
Nb 41 NbCO3 285.0 eV The XPS Library

Charge Referencing Notes

  • (N*number) identifies the number of NIST BEs that were averaged to produce the BE in the middle column.
  • The XPS Library uses Binding Energy Scale Calibration with Cu (3d5/2) BE = 932.62 eV and Au (4f7/2) BE = 83.98 eV.  BE (eV) Uncertainty Range:  +/- 0.2 eV
  • Charge Referencing of insulators is defined such that the Adventitious Hydrocarbon C (1s) BE (eV) = 285.0 eV.  NIST uses C (1s) BE = 284.8 eV 
  • Note:   Ion etching removes adventitious carbon, implants Ar (+), changes conductivity of surface, and degrades chemistry of various chemical states.
  • Note:  Ion Etching changes BE of C (1s) hydrocarbon peak.
  • TXL – abbreviation for: “The XPS Library” (https://xpslibrary.com).  NIST:  National Institute for Science and Technology (in USA)

→  Periodic Table 

Table #2

Nb (3d5/2) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

Nb (3d5/2) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV), Nb (3d5/2)
Nb metal 202.4
Nb2O5 207.1

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

Nb (3d5/2) Chemical State BEs from:  “XPSfitting” Website

Chemical State BE Table derived by Averaging BEs in the NIST XPS database of BEs
C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Mark Beisinger

Table #5

Nb (3d5/2) Chemical State BEs from:  “Techdb.podzone.net” Website

 

XPS Spectra – Chemical Shift | Binding Energy
C (1s) BE = 284.6 eV

XPS(X線光電子分光法)スペクトル 化学状態 化学シフト ケミカルシフト

Element Level Compound B.E.(eV) min max
Nb 3d5/2 Nb 202.1 ±0.4 201.7 ～ 202.5
Nb 3d5/2 NbN 203.7 ±0.3 203.4 ～ 204.0
Nb 3d5/2 NbO 203.8 ±1.0 202.8 ～ 204.8
Nb 3d5/2 Cl2(Nb6Cl12)(Pr3P)4 204.6 ±0.3 204.3 ～ 204.9
Nb 3d5/2 Cl2(Nb6Cl12)(Me2SO)4 204.6 ±0.3 204.3 ～ 204.9
Nb 3d5/2 Br6(Nb6Cl12)(Bu4N)2 204.8 ±0.3 204.5 ～ 205.0
Nb 3d5/2 Ca2Nb2O7 206.7 ±0.3 206.4 ～ 206.9
Nb 3d5/2 CaNb2O6 206.7 ±0.3 206.4 ～ 207.0
Nb 3d5/2 LiNbO3 207.1 ±0.2 206.9 ～ 207.3
Nb 3d5/2 Nb2O5 207.5 ±0.3 207.2 ～ 207.8

 

→  Periodic Table 

 
 

Histograms of NIST BEs for Nb (3d5/2) BEs

Important Note:  NIST Database defines Adventitious Hydrocarbon C (1s) BE = 284.8 eV for all insulators.

Histogram indicates:  202.2 eV for Nbo based on 13 literature BEs Histogram indicates:  207.4 eV for Nb2O5 based on 15 literature BEs

Table #6


NIST Database of Nb (3d5/2) Binding Energies

NIST Standard Reference Database 20, Version 4.1

Data compiled and evaluated
by
Alexander V. Naumkin, Anna Kraut-Vass, Stephen W. Gaarenstroom, and Cedric J. Powell
©2012 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

Important Note:  NIST Database defines Adventitious Hydrocarbon C (1s) BE = 284.8 eV for all insulators.

 

Element Spectral Line Formula Energy (eV) Reference
Nb 3d5/2 Nb 201.50  Click
Nb 3d5/2 Nb 201.60  Click
Nb 3d5/2 Nb 201.80  Click
Nb 3d5/2 Nb 202.10  Click
Nb 3d5/2 Nb 202.20  Click
Nb 3d5/2 Nb 202.20  Click
Nb 3d5/2 Nb 202.20  Click
Nb 3d5/2 AlOx/Nb/Si 202.20  Click
Nb 3d5/2 Nb 202.26  Click
Nb 3d5/2 O2/Ce/Nb 202.30  Click
Nb 3d5/2 O2/Er/Nb 202.30  Click
Nb 3d5/2 O2/Nb 202.30  Click
Nb 3d5/2 O2/Pr/Nb 202.30  Click
Nb 3d5/2 O2/Tb/Nb 202.30  Click
Nb 3d5/2 NbOx/Nb 202.30  Click
Nb 3d5/2 Nb 202.31  Click
Nb 3d5/2 Nb 202.40  Click
Nb 3d5/2 Nb 202.40  Click
Nb 3d5/2 Nb 202.40  Click
Nb 3d5/2 Nb 202.40  Click
Nb 3d5/2 Nb 202.50  Click
Nb 3d5/2 Nb 202.60  Click
Nb 3d5/2 NbC 202.70  Click
Nb 3d5/2 NbC 202.70  Click
Nb 3d5/2 Nb3Te4 202.80  Click
Nb 3d5/2 NbO 202.80  Click
Nb 3d5/2 SnNbS3 202.80  Click
Nb 3d5/2 NbO0.2/Nb 202.90  Click
Nb 3d5/2 Nb3Se4 203.00  Click
Nb 3d5/2 [Nb6I8(CH3NH2)6] 203.10  Click
Nb 3d5/2 NbN 203.10  Click
Nb 3d5/2 NbN0.93 203.10  Click
Nb 3d5/2 NbH 203.20  Click
Nb 3d5/2 NbHx 203.20  Click
Nb 3d5/2 NbN0.067 203.20  Click
Nb 3d5/2 Nb3Te4.1 203.20  Click
Nb 3d5/2 Nb3Te2.8As0.9 203.20  Click
Nb 3d5/2 Nb3Te3.8As0.4 203.20  Click
Nb 3d5/2 NbSe2 203.40  Click
Nb 3d5/2 (BiS)1.09NbS2 203.40  Click
Nb 3d5/2 NbN 203.50  Click
Nb 3d5/2 NbN 203.50  Click
Nb 3d5/2 NbN 203.50  Click
Nb 3d5/2 NbS2 203.50  Click
Nb 3d5/2 Nb6I11 203.52  Click
Nb 3d5/2 (SnS)1.17NbS2 203.60  Click
Nb 3d5/2 HNb6I11 203.68  Click
Nb 3d5/2 NbO 203.70  Click
Nb 3d5/2 NbC 203.70  Click
Nb 3d5/2 NbN0.51 203.70  Click
Nb 3d5/2 (PbS)1.14NbS2 203.70  Click
Nb 3d5/2 NbN 203.80  Click
Nb 3d5/2 NbTe4 203.80  Click
Nb 3d5/2 NbO/Nb 203.80  Click
Nb 3d5/2 Nb3N4 203.90  Click
Nb 3d5/2 NbN0.99 204.09  Click
Nb 3d5/2 Nb3N4 204.10  Click
Nb 3d5/2 NbN0.87 204.20  Click
Nb 3d5/2 NbN(1-y)O(y)/NbN 204.25  Click
Nb 3d5/2 NbN(1-y)O(y) 204.30  Click
Nb 3d5/2 NbN(1-y)O(y) 204.40  Click
Nb 3d5/2 NbC0.8O0.2 204.40  Click
Nb 3d5/2 Nb3I8 204.50  Click
Nb 3d5/2 [Nb6Cl12Cl2(SO(CH3)2)4] 204.60  Click
Nb 3d5/2 (P(C3H7)3)4[(NbCl12)Cl2] 204.60  Click
Nb 3d5/2 NbSe2 204.60  Click
Nb 3d5/2 [Nb6Cl12(H2O)4]Cl2.4H2O 204.70  Click
Nb 3d5/2 [N(C2H5)4]3[NbC12]Cl6 204.70  Click
Nb 3d5/2 [N(C4H9)4]2[Nb6Cl12Br6] 204.70  Click
Nb 3d5/2 NbO 204.70  Click
Nb 3d5/2 (PbSe)1.12(NbSe2)2 204.70  Click
Nb 3d5/2 BaNb0.8S3-x 204.70  Click
Nb 3d5/2 BaNbS3 204.80  Click
Nb 3d5/2 NbO2 205.20  Click
Nb 3d5/2 NbNO 205.50  Click
Nb 3d5/2 NbNO/NbN 205.55  Click
Nb 3d5/2 NbNO 205.55  Click
Nb 3d5/2 NbO2 205.70  Click
Nb 3d5/2 NbO2/Nb 205.80  Click
Nb 3d5/2 NbCO 205.80  Click
Nb 3d5/2 NbI4 205.90  Click
Nb 3d5/2 NbO2 206.10  Click
Nb 3d5/2 KNbO3 206.50  Click
Nb 3d5/2 RhNbO4 206.50  Click
Nb 3d5/2 BaNbO3 206.50  Click
Nb 3d5/2 Nb2O5 206.60  Click
Nb 3d5/2 NaNbO3 206.60  Click
Nb 3d5/2 NaNbO3 206.60  Click
Nb 3d5/2 Ca2Nb2O7 206.70  Click
Nb 3d5/2 BaNb0.8S3-x 206.70  Click
Nb 3d5/2 CaNb2O6 206.80  Click
Nb 3d5/2 Nb2N(2-y)O(3+y) 206.80  Click
Nb 3d5/2 UNb3O10.17 206.80  Click
Nb 3d5/2 UNb3O10.34 206.80  Click
Nb 3d5/2 Sr0.90NbO3 206.80  Click
Nb 3d5/2 Sr0.80NbO3 206.80  Click
Nb 3d5/2 Sr0.85NbO3 206.80  Click
Nb 3d5/2 Nb2O5 206.90  Click
Nb 3d5/2 Nb2N(2-y)O(3+y)/NbN 206.90  Click
Nb 3d5/2 UNb3O10 206.90  Click
Nb 3d5/2 Nb2O5 207.00  Click
Nb 3d5/2 CdNb2O6 207.00  Click
Nb 3d5/2 Nb2N(2-y)O(3+y)/NbN 207.00  Click
Nb 3d5/2 UNb4O12 207.00  Click
Nb 3d5/2 BaNbS3 207.00  Click
Nb 3d5/2 Nb2O5 207.00  Click
Nb 3d5/2 Nb2O5 207.00  Click
Nb 3d5/2 Nb2O5 207.00  Click
Nb 3d5/2 NbBr5 207.10  Click
Nb 3d5/2 LiNbO3 207.10  Click
Nb 3d5/2 NbI5 207.10  Click
Nb 3d5/2 Nb2O5 207.10  Click
Nb 3d5/2 Nb2O5 207.10  Click
Nb 3d5/2 Nb2O5 207.20  Click
Nb 3d5/2 Nb2O5 207.20  Click
Nb 3d5/2 Nb2O5 207.20  Click
Nb 3d5/2 Nb2O5 207.20  Click
Nb 3d5/2 H0.2Nb2O5 207.20  Click
Nb 3d5/2 LiNbO3 207.30  Click
Nb 3d5/2 Nb2O5 207.30  Click
Nb 3d5/2 Nb2O5 207.40  Click
Nb 3d5/2 O2/Ce/Nb 207.40  Click
Nb 3d5/2 O2/Er/Nb 207.40  Click
Nb 3d5/2 O2/Nb 207.40  Click
Nb 3d5/2 O2/Pr/Nb 207.40  Click
Nb 3d5/2 O2/Tb/Nb 207.40  Click
Nb 3d5/2 UNb2O7 207.40  Click
Nb 3d5/2 Nb2O5 207.50  Click
Nb 3d5/2 Nb2O5 207.50  Click
Nb 3d5/2 Nb2O5 207.55  Click
Nb 3d5/2 Nb2O5 207.55  Click
Nb 3d5/2 Nb2O5/Nb 207.55  Click
Nb 3d5/2 Nb2O5/NbN 207.55  Click
Nb 3d5/2 Nb2O5/NbN 207.55  Click
Nb 3d5/2 NbO2 207.60  Click
Nb 3d5/2 Nb2O5 207.60  Click
Nb 3d5/2 Nb2O5 207.60  Click
Nb 3d5/2 Nb2O5 207.60  Click
Nb 3d5/2 Nb2O5 207.60  Click
Nb 3d5/2 NbS2 207.70  Click
Nb 3d5/2 Nb99ZrOx 207.70  Click
Nb 3d5/2 NbOx/Nb 207.70  Click
Nb 3d5/2 NbCl5 208.00  Click
Nb 3d5/2 Nb2O5 208.10  Click
Nb 3d5/2 Nb2O5 208.20  Click
Nb 3d5/2 K2NbF7 209.40  Click

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

 

→  Periodic Table