Sulfides    → Sulfates
S8 Ag2S As2S3 Bi2S3 CdS Cr2S3 CuS Cu2S FeS2 Ga2S3
HgS In2S3 MoS2 PbS Sb2S3 SnS TaS2 Y2S3 WS2 ZnS

XPS Spectra
Sulfur (S) 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.

Sulfur – non-metal   (S8 – natural crystal)
Survey, Peak-fits, BEs, FWHMs, and Peak Labels

→  Periodic Table   → Six (6) BE Tables
Survey Spectrum from So  (S8 – natural crystal)
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
S (2p) Spectrum from Natural So – Raw
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 S (2p) Spectrum from Natural So  – 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
S (2s) Spectrum from Natural So – Raw
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 S (2s) Spectrum from Natural So – 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
S (2p-2s) Spectrum from Natural So – Extended 
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 S (2p-2s) Spectrum from Natural So – Raw – 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
C (1s) Spectrum from Natural So – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 279.14eV, Ag FWHM = 0.75 eV		 C (1s) Spectrum from Natural So – 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
S (KLL) Auger Signals from Natural So – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Valence Band Signals from Natural So  – 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 Natural So and As2S3 
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 S (2p) Spectra – Overlay of Natural So  and As2S3 
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table  → Six (6) BE Tables
S (2p) Spectra – Overlay of Natural So, Sb2S3, SnS,
MoS2 and WS2
Freshly exposed bulk, Flood gun is OFF, Only S is non-conductive, 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 (Cr), PEs = 50, 100, 150 and 200 eV
→  Periodic Table 
March 2016 – Transmission Function of Thermo K-Alpha Plus 
 
Survey Spectra of Ion Etched Copper (Cr), 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 (Cr), PEs = 100, 120, 140, 160, 180 and 200 eV

Six (6) Chemical State Tables of S (2p) 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

S (2p) 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
S 16 Ag2S (N*2) 160.7 eV 160.8 eV 284.8 eV Avg BE – NIST
S 16 Na2S (N*2) 160.6 eV 161.8 eV 284.8 eV Avg BE – NIST
S 16 PbS 161.1 eV 285.0 eV The XPS Library
S 16 CuS 161.5 eV 285.0 eV The XPS Library
S 16 TaS2 161.5 eV 285.0 eV The XPS Library
S 16 CdS 161.6 eV 285.0 eV The XPS Library
S 16 MoS2 161.8 eV 163 eV 285.0 eV The XPS Library
S 16 HgS 162.0 eV 285.0 eV The XPS Library
S 16 WS2 162.1 eV 285.0 eV The XPS Library
S 16 WS2 (N*4) 162.1 eV 163.1 eV 284.8 eV Avg BE – NIST
S 16 Na2S2O3 162.4 eV 285.0 eV The XPS Library
S 16 As2S3 162.5 eV 285.0 eV The XPS Library
S 16 FeS2 162.5 eV 285.0 eV The XPS Library
S 16 ZnS 162.5 eV 285.0 eV The XPS Library
S 16 PPS, phenylene sulfide 163.7 eV polymer film 285.0 eV The XPS Library
S 16 S – element  (S8) 164.2 eV 285.0 eV The XPS Library
S 16 Na2SO3 (N*6) 166.5 eV 167.2 eV 284.8 eV Avg BE – NIST
S 16 Ag2-SO4 168.2 eV 285.0 eV The XPS Library
S 16 M-SO4 (N*12) 168.5 eV 170.1 eV 284.8 eV Avg BE – NIST
S 16 Na2S2O3 168.5 eV 285.0 eV The XPS Library
S 16 Na2SO4 168.9 eV 285.0 eV The XPS Library
S 16 H2SO4 (N*1) 169.6 eV 284.8 eV Avg BE – NIST
S 16 SF6 (N*2) 173.4 eV 174.4 eV 284.8 eV Avg BE – NIST

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

S (2p) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

S (2p) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical state Binding energy S (2p) / eV
Metal sulfide ~161.5 eV
Thiol bound to gold, Au-S 162.5 eV
Thiol, R-SH ~164 eV
Na2(SO3)2 166.5 eV
Metal sulfate ~169 eV

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

S (2p) 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

S (2p) 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
S 2p3/2 Sulfide 162.0 ±1.9 160.1 ～ 163.9
S 2p3/2 Mercaptan 162.7 ±0.6 162.1 ～ 163.2
S 2p3/2 Cysteine 163.6 ±0.5 163.1 ～ 164.1
S 2p3/2 S 163.8 ±0.3 163.5 ～ 164.0
S 2p3/2 Thiophene 164.0 ±0.3 163.7 ～ 164.2
S 2p3/2 Sulfite 166.5 ±1.0 165.5 ～ 167.5
S 2p3/2 SO2 167.7 ±0.8 166.9 ～ 168.4
S 2p3/2 Sulfone 168.1 ±1.8 166.3 ～ 169.8
S 2p3/2 Sulfate 169.8 ±1.4 168.4 ～ 171.1
S 2p3/2 SF6 175.9 ±1.5 174.4 ～ 177.3

→  Periodic Table 

 
 

Histograms of NIST BEs for S (2p) BEs

 

Histogram indicates:  163.9 eV for S (2p) in pure S based on 9 literature BEs Histogram indicates:  161.7 eV for S (2p) in CdS based on 9 literature BEs

Table #6


NIST Database of S (2p) 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.

→  Periodic Table 

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

 

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