Multi-active　sites　were　usually　molded　to　achieve　better　catalytic　performance　for　those　reactions　involving　multiple　reactants.　In　this　work,　CuO/Cu-ZSM-5　(CuO/Cu-Z5)　hybrid　catalysts　with　structurally　well-defined　CuO　nanoparticles　and　site-isolated　Cu　ions　were　synthesized　and　applied　for　selective　catalytic　reduction　by　coal-gas　(coal-gas-SCR).　The　activity　evaluation　reveals　that　participation　of　CuO　could　significantly　improve　NOx　conversion　of　Cu-Z5,　and　Flake-CuO　nanoparticle　exhibits　the　best　catalytic　performance.　Several　comprehensive　characterizations　manifest　that　Flake-CuO/Cu-Z5　contains　the　highest　density　of　oxygen　vacancies,　on　which　the　richly　exposed　CuO　(200)　facet　shows　high　oxygen　mobility　and　low　oxygen　vacancy　formation　energy　that　verified　by　DFT　calculation.　Additionally,　Flake-CuO　provides　superior　redox　ability　and　highly　active　sites　for　NO　adsorption　and　oxidation　to　NO2,　which　can　remarkably　accelerate　subsequent　SCR　rates.　In　situ　DRIFTS　demonstrates　that　more　adsorbed　NO2　and　bidentate　nitrate　species　generated　on　FlakeCuO/Cu-Z5,　and　the　amount　of　other　vital　intermediate　species　(such　as　NHx　and　CH3NO)　were　also　largely　formed　over　the　sample.　Interestingly,　after　injecting　reductants,　the　bidentate　nitrate　on　Rod-CuO/Cu-Z5,　SheetCuO/Cu-Z5,　and　Cu-Z5　is　partially　transformed　to　monodentate　nitrate,　whereas　Flake-CuO/Cu-Z5　could　prohibit　this　process　due　to　those　substantial　chemisorbed　oxygen　and　appropriate　adsorption　ability　of　intermediates　species　over　CuO　(2　00)　facet.　The　mass　migration　between　CuO　and　Cu2+　ions　revealed　that　CuO　(2　00)　facet　not　only　catalyzes　the　SCR　reaction　but　also　could　transfer　those　formed　nitrates　and　activated　reactants　to　Cu2+　ions　in　zeolite　framework　nearby　to　accomplish　the　following　reaction,　fulfilling　the　acceleration　of　SCR　process.