Indium　arsenide　(InAs)　nanowires　(NWs)　show　significant　advantages　in　optoelectronic　devices　due　to　their　excellent　electronic　and　optical　properties.　While　the　surface　states　affect　such　outstanding　properties,　and　the　performance　of　optoelectronic　devices　can　be　further　optimized　by　modulating　the　surface　state.　Herein,　the　adsorption　and　substitution　properties　and　the　optoelectronics　response　of　passivated　InAs　NWs　are　studied　using　first　-principles　calculations　combined　with　nonequilibrium　Green　＇　s　function　(NEGF).　The　results　show　that　O　atom　adsorption　can　reduce　the　band　gap　and　improve　infrared　absorption　of　InAs　NWs.　Meanwhile,　for　the　O　atom　substitution　model,　the　impurity　energy　level　appears　near　the　Fermi　level　of　InAs　NWs,　and　for　a　higher　concentration　O　atoms　substitution,　the　semiconduction　properties　of　the　InAs　NWs　are　destroyed.　We　also　choose　the　Au,　Cs,　Bi,　Sn,　and　Y　atoms　as　decoration　atoms　to　passivate　InAs　NWs,　and　compared　with　the　intrinsic　InAs　NW　surface　model,　the　energy　bands　gap　of　the　metal　-atoms　adsorption　models　all　show　a　decreasing　trend　in　addition　to　Au　-atom　adsorption,　and　the　absorption　coefficients　of　InAs　NWs　adsorbed　by　several　atoms　such　as　Cs,　Sn,　Bi,　and　Y　in　the　infrared　region　have　redshifts　in　different　degrees.　The　absorption　coefficients　of　InAs　NWs　adsorbed　by　several　metal　atoms,　Sn,　Bi,　and　Y,　are　higher　in　the　infrared　region　compared　to　that　of　InAs　NW　adsorbed　by　O　atom.　After　the　screening　of　materials,　we　select　InAs　NWs　adsorbed　with　Cs,　Bi,　Sn,　and　Y　atoms　with　good　infrared　absorption　characteristics　for　the　performance　study　of　optoelectronic　devices　and　it　is　shown　that　the　InAs　NW　devices　with　adsorbed　Bi　and　Sn　atoms　have　the　optimal　performance　with　low　dark　current　and　high　photocurrent.