This study investigates the effects of varying hydrofluoric acid (HF) concentrations on the thermodynamic stability and electronic properties of Ti3C2Tx MXene surfaces with different O/OH/F stoichiometries. The research focuses on both ordered and randomly terminated surfaces, examining their formation energies, electron density of states (eDOS), charge density difference, electron localization function (ELF), and work function. Key findings include: 1. **Thermodynamic Stability**: OH-rich surfaces are thermodynamically stable regardless of HF concentration. 2. **Electronic Properties**: The electrical conductivity of Ti3C2Tx is significantly affected by the OH concentration, with higher OH content leading to increased conductivity. 3. **Charge Distribution and Electron Localization**: Significant electron localization at the hydroxyl group results in locally induced dipoles, enhancing reaction sites on the surface. 4. **Work Function**: A large tunability in the work function (ΔΦ ~ 3.5 eV) is predicted, making Ti3C2Tx suitable for tuning electronic properties through HF etching. These findings provide a strategic pathway for modifying the electronic and structural properties of Ti3C2MXenes, which could have applications in various fields such as batteries, gas sensors, and thermoelectrics.This study investigates the effects of varying hydrofluoric acid (HF) concentrations on the thermodynamic stability and electronic properties of Ti3C2Tx MXene surfaces with different O/OH/F stoichiometries. The research focuses on both ordered and randomly terminated surfaces, examining their formation energies, electron density of states (eDOS), charge density difference, electron localization function (ELF), and work function. Key findings include: 1. **Thermodynamic Stability**: OH-rich surfaces are thermodynamically stable regardless of HF concentration. 2. **Electronic Properties**: The electrical conductivity of Ti3C2Tx is significantly affected by the OH concentration, with higher OH content leading to increased conductivity. 3. **Charge Distribution and Electron Localization**: Significant electron localization at the hydroxyl group results in locally induced dipoles, enhancing reaction sites on the surface. 4. **Work Function**: A large tunability in the work function (ΔΦ ~ 3.5 eV) is predicted, making Ti3C2Tx suitable for tuning electronic properties through HF etching. These findings provide a strategic pathway for modifying the electronic and structural properties of Ti3C2MXenes, which could have applications in various fields such as batteries, gas sensors, and thermoelectrics.