Spectroscopy — Polyethenetetrathiolate or polytetrathiooxalate? Improved synthesis, a comparative analysis of a prominent thermoelectric polymer and implications to the charge transport mechanism

4 measurement groups · 30 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

P1 poly[Kx(Ni-ett)] · Pellet

Very dilute NMF solutions, 200-2400 nm, Varian Cary 5000; pristine and vapour-treated spectra discussed.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
broad_ir_lambda_max	~1500 nm	—	—	Text Approximate	8 · UV-vis-near IR spectroscopy · Fig. 6
uvvis_lambda_max_peak1	303 nm	—	—	Text Exact Reported	8 · UV-vis-near IR spectroscopy · Fig. 6
uvvis_lambda_max_peak2	429 nm	—	—	Text Exact Reported	8 · UV-vis-near IR spectroscopy · Fig. 6

P3 poly[Ni-tto] · Pellet

Very dilute NMF solutions, 200-2400 nm, Varian Cary 5000; pristine and vapour-treated spectra discussed.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
broad_ir_lambda_max	~1500 nm	—	—	Text Approximate	8 · UV-vis-near IR spectroscopy · Fig. 6
uvvis_lambda_max_peak1	303 nm	—	—	Text Exact Reported	8 · UV-vis-near IR spectroscopy · Fig. 6
uvvis_lambda_max_peak2	429 nm	—	—	Text Exact Reported	8 · UV-vis-near IR spectroscopy · Fig. 6

P1 poly[Kx(Ni-ett)] · Pellet

Axis Ultra, Al Kalpha 1486.6 eV; high-resolution pass energy 20 eV; deconvolution tables in SI.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C1s_S_atomic_conc	68.43	—	—	SI Table Exact Reported	23-24 · XPS data · Table SC2/SC3
C1s_S_BE	285.0	—	—	SI Table Exact Reported	23-24 · XPS data · Table SC2/SC3
xps_surface_ratio_K:C	0.177	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
xps_surface_ratio_N:C	0.042	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
Ni2p3_2_U_BE	854.036	—	—	SI Table Exact Reported	23-24 · XPS data · Table SC2/SC3
Ni2p3_2_V_BE	855.893	—	—	SI Table Exact Reported	23-24 · XPS data · Table SC2/SC3
xps_surface_ratio_Ni:C	0.076	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
xps_surface_ratio_O:C	0.424	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
oxidized_sulphur_components	component peaks Q and R especially intense in P1	—	—	Text Qualitative	7 · XPS analysis · Fig. 4
S2p3_2_O_BE	162.203	—	—	SI Table Exact Reported	23-24 · XPS data · Table SC2/SC3
S2p3_2_R_BE	168.869	—	—	SI Table Exact Reported	23-24 · XPS data · Table SC2/SC3
xps_surface_ratio_S:C	0.368	—	—	SI Table Exact Reported	23 · XPS data · Table SC1

P3 poly[Ni-tto] · Pellet

Axis Ultra, Al Kalpha 1486.6 eV; high-resolution pass energy 20 eV; deconvolution tables in SI.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C1s_D_atomic_conc	30.29	—	—	SI Table Exact Reported	24-25 · XPS data · Table SC2/SC3
xps_surface_ratio_K:C	0.028	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
less_oxidized_sulphur	P3 has much less oxidized sulphur	—	—	Text Qualitative	7 · XPS analysis · Fig. 4
xps_surface_ratio_N:C	0.013	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
Ni2p3_2_U_BE	853.996	—	—	SI Table Exact Reported	24-25 · XPS data · Table SC2/SC3
Ni2p3_2_V_BE	855.853	—	—	SI Table Exact Reported	24-25 · XPS data · Table SC2/SC3
xps_surface_ratio_Ni:C	0.063	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
xps_surface_ratio_O:C	0.25	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
S2p3_2_O_BE	162.033	—	—	SI Table Exact Reported	24-25 · XPS data · Table SC2/SC3
S2p3_2_R_BE	168.926	—	—	SI Table Exact Reported	24-25 · XPS data · Table SC2/SC3
xps_surface_ratio_S:C	0.332	—	—	SI Table Exact Reported	23 · XPS data · Table SC1
xps_surface_ratio_Si:C	0.005	—	—	SI Table Exact Reported	23 · XPS data · Table SC1