Low-temperature oxidation of hexagonal boron nitride during oxidative dehydrogenation reactions

DRIFT spectra folder
This folder contains spectra of untreated and spent (used in ODH reaction) h-BN material shown in Fig. 3 in ASCII format

XPS folder 
This folder contains two sub-folder vith XPS spectra of materials treated in various atmospheres ([h-BN dif atm]) (quantitative analysis is show in Fig. 2) and after reaction carried out in reactors of different dimensions ([dif reactor geometry]) (quantitative analysis shown in Fig. 4) 

[h-BN diff atm] sub-folder
[He] - XPS spectra of sample treated at 490°C in helium flow (20 mL/min) for 2 h
[He+C3H8] - XPS spectra of sample treated at 490°C in helium with 30vol. % of propane with total flow 20 ml/min for 2h
[He+O2] - XPS spectra of sample treated at 490°C in helium with 15vol. % of oxygen with total flow 20 ml/min for 2h
[He+C3H8+O2] - XPS spectra of sample treated at 490°C in helium with 30vol. % of propane and 15vol.% of oxygen with total flow 20 ml/min for 2h

[dif reactor geomentry] sub-folder
[VS-1.5] - XPS spectra of sample treated at 490°C in ODH reaction (helium with 30vol. % of propane and 15vol.% of oxygen with total flow 20 ml/min) for 3h in reactor with void space above catalyst bed equal to 1.57 mL
[VS-2] - XPS spectra of sample treated at 490°C in ODH reaction (helium with 30vol. % of propane and 15vol.% of oxygen with total flow 20 ml/min) for 3h in reactor with void space above catalyst bed equal to 2.08 mL
[VS-3.5] - XPS spectra of sample treated at 490°C in ODH reaction (helium with 30vol. % of propane and 15vol.% of oxygen with total flow 20 ml/min) for 3h in reactor with void space above catalyst bed equal to 3.45 mL/min
[VS-5] - XPS spectra of sample treated at 490°C in ODH reaction (helium with 30vol. % of propane and 15vol.% of oxygen with total flow 20 ml/min) for 3h in reactor with void space above catalyst bed equal to 5.02 mL
[VS-5.8] - XPS spectra of sample treated at 490°C in ODH reaction (helium with 30vol. % of propane and 15vol.% of oxygen with total flow 20 ml/min) for 3h in reactor with void space above catalyst bed equal to 5.82 mL

Geometries folder

This folder contains geometry information about reactants, products and transtion states for h-BN edge activation (Table 1). The VASP format (https://www.vasp.at/wiki/index.php/POSCAR) is used and can be readily opened in programs such as VESTA(https://jp-minerals.org/vesta/en/)