A　model　for　describing　the　adsorption　process　of　hydrogen　on　surface　of　tungsten　oxide　was　proposed　based　on　the　first-principle　calculations.　Multiple　factors　such　as　type　of　active　surface,　adsorption　site　and　distribution　of　oxygen　vacancies　were　considered　to　evaluate　the　hydrogen　adsorption　capability　of　tungsten　oxide.　The　adsorption　Gibbs　free　energies,　electronic　structures　and　bonding　characteristics　under　various　conditions　were　examined　to　reveal　the　influence　of　oxygen　vacancies　on　the　surface.　It　is　found　that　the　capability　of　hydrogen　adsorption　of　tungsten　oxide　can　be　significantly　enhanced　by　adjusting　the　oxygen　vacancy　on　the　outermost　layer　of　certain　active　surfaces.　The　modeling　predicts　that　the　surface　structure　stability　and　gas　adsorption　ability　of　tungsten　oxide　can　be　simultaneously　improved　through　the　formation　of　W　-H　bonds.　The　proposed　strategy　for　moderating　surface　provides　a　new　approach　to　obtain　excellent　gas-sensitive　metal　oxide　materials.　(c)　2022　Published　by　Elsevier　Ltd　on　behalf　of　The　editorial　office　of　Journal　of　Materials　Science　&　Technology.